USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 30 CYS H : A 30 CYS N : A 130 RCY C1L :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YA : A 130 RCY C1Y : A 28 PRO CG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VB : A 130 RCY C1V : A 28 PRO N :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1LA : A 130 RCY C1L : A 30 CYS N :(H bumps) USER MOD NoAdj-H: A 130 RCYH1CA : A 130 RCY C1C : A 28 PRO O :(H bumps) USER MOD NoAdj-H: A 130 RCY H1L : A 130 RCY C1L : A 30 CYS N :(H bumps) USER MOD NoAdj-H: A 130 RCY H1C : A 130 RCY C1C : A 28 PRO O :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZB : A 160 RCY C1Z : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZA : A 160 RCY C1Z : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Z : A 160 RCY C1Z : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1MA : A 168 RCY C1M : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 160 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 168 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 168 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCY H1S : A 173 RCY C1S : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 173 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 32 GLN :FLIP amide:sc= -8.06! C(o=-20!,f=-11!) USER MOD Set 1.2: A 37 GLN : amide:sc= -2.93! C(o=-11!,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.549 K(o=-0.55,f=-4!) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.084 (180deg=-0.552) USER MOD Single : A 12 SER OG : rot 180:sc= 0.463 USER MOD Single : A 14 THR OG1 : rot 60:sc= 1.17 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.13) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.8) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.445 USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= -0.28 (180deg=-1.18!) USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.0468 (180deg=-0.379) USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= -3.27! (180deg=-5.8!) USER MOD Single : A 48 GLN : amide:sc= -24.7! C(o=-25!,f=-39!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 65 THR OG1 : rot 167:sc= -9.4! USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0871 F(o=-0.75,f=-0.087) USER MOD Single : A 75 HIS : no HD1:sc= -0.92! C(o=-0.92!,f=-3.7!) USER MOD Single : A 79 HIS :FLIP no HD1:sc= 0.0922 F(o=-1.3,f=0.092) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 68.049 -15.315 -4.311 1.00 1.00 N ATOM 2 CA MET A 1 67.055 -15.272 -3.202 1.00 1.00 C ATOM 3 C MET A 1 67.632 -15.980 -1.973 1.00 1.00 C ATOM 4 O MET A 1 68.744 -15.715 -1.560 1.00 1.00 O ATOM 5 CB MET A 1 65.768 -15.976 -3.644 1.00 1.00 C ATOM 6 CG MET A 1 64.611 -15.539 -2.744 1.00 1.00 C ATOM 7 SD MET A 1 64.059 -13.885 -3.230 1.00 1.00 S ATOM 8 CE MET A 1 62.846 -14.406 -4.468 1.00 1.00 C ATOM 0 H1 MET A 1 67.658 -14.834 -5.146 1.00 1.00 H new ATOM 0 H2 MET A 1 68.923 -14.836 -4.013 1.00 1.00 H new ATOM 0 H3 MET A 1 68.261 -16.305 -4.549 1.00 1.00 H new ATOM 0 HA MET A 1 66.833 -14.235 -2.951 1.00 1.00 H new ATOM 0 HB2 MET A 1 65.546 -15.732 -4.683 1.00 1.00 H new ATOM 0 HB3 MET A 1 65.896 -17.057 -3.590 1.00 1.00 H new ATOM 0 HG2 MET A 1 63.786 -16.247 -2.824 1.00 1.00 H new ATOM 0 HG3 MET A 1 64.928 -15.536 -1.701 1.00 1.00 H new ATOM 0 HE1 MET A 1 62.373 -13.527 -4.906 1.00 1.00 H new ATOM 0 HE2 MET A 1 63.347 -14.977 -5.250 1.00 1.00 H new ATOM 0 HE3 MET A 1 62.087 -15.028 -3.994 1.00 1.00 H new ATOM 17 N ASN A 2 66.888 -16.877 -1.386 1.00 1.00 N ATOM 18 CA ASN A 2 67.397 -17.598 -0.185 1.00 1.00 C ATOM 19 C ASN A 2 66.379 -18.657 0.245 1.00 1.00 C ATOM 20 O ASN A 2 65.293 -18.742 -0.294 1.00 1.00 O ATOM 21 CB ASN A 2 67.610 -16.602 0.957 1.00 1.00 C ATOM 22 CG ASN A 2 66.396 -15.677 1.062 1.00 1.00 C ATOM 23 OD1 ASN A 2 65.271 -16.114 0.920 1.00 1.00 O ATOM 24 ND2 ASN A 2 66.577 -14.408 1.308 1.00 1.00 N ATOM 0 H ASN A 2 65.950 -17.142 -1.686 1.00 1.00 H new ATOM 0 HA ASN A 2 68.344 -18.081 -0.427 1.00 1.00 H new ATOM 0 HB2 ASN A 2 67.756 -17.136 1.896 1.00 1.00 H new ATOM 0 HB3 ASN A 2 68.512 -16.017 0.779 1.00 1.00 H new ATOM 0 HD21 ASN A 2 65.774 -13.783 1.381 1.00 1.00 H new ATOM 0 HD22 ASN A 2 67.521 -14.041 1.427 1.00 1.00 H new ATOM 31 N LEU A 3 66.721 -19.465 1.212 1.00 1.00 N ATOM 32 CA LEU A 3 65.773 -20.519 1.676 1.00 1.00 C ATOM 33 C LEU A 3 64.956 -19.992 2.858 1.00 1.00 C ATOM 34 O LEU A 3 64.511 -20.746 3.700 1.00 1.00 O ATOM 35 CB LEU A 3 66.561 -21.756 2.115 1.00 1.00 C ATOM 36 CG LEU A 3 67.630 -22.080 1.070 1.00 1.00 C ATOM 37 CD1 LEU A 3 68.294 -23.415 1.414 1.00 1.00 C ATOM 38 CD2 LEU A 3 66.977 -22.178 -0.311 1.00 1.00 C ATOM 0 H LEU A 3 67.616 -19.441 1.701 1.00 1.00 H new ATOM 0 HA LEU A 3 65.101 -20.784 0.860 1.00 1.00 H new ATOM 0 HB2 LEU A 3 67.027 -21.578 3.084 1.00 1.00 H new ATOM 0 HB3 LEU A 3 65.888 -22.605 2.237 1.00 1.00 H new ATOM 0 HG LEU A 3 68.382 -21.291 1.064 1.00 1.00 H new ATOM 0 HD11 LEU A 3 69.056 -23.645 0.669 1.00 1.00 H new ATOM 0 HD12 LEU A 3 68.758 -23.348 2.398 1.00 1.00 H new ATOM 0 HD13 LEU A 3 67.542 -24.204 1.420 1.00 1.00 H new ATOM 0 HD21 LEU A 3 67.737 -22.409 -1.057 1.00 1.00 H new ATOM 0 HD22 LEU A 3 66.225 -22.967 -0.303 1.00 1.00 H new ATOM 0 HD23 LEU A 3 66.503 -21.228 -0.558 1.00 1.00 H new ATOM 50 N GLU A 4 64.753 -18.704 2.929 1.00 1.00 N ATOM 51 CA GLU A 4 63.962 -18.138 4.059 1.00 1.00 C ATOM 52 C GLU A 4 62.466 -18.224 3.719 1.00 1.00 C ATOM 53 O GLU A 4 62.064 -17.915 2.616 1.00 1.00 O ATOM 54 CB GLU A 4 64.356 -16.671 4.272 1.00 1.00 C ATOM 55 CG GLU A 4 65.580 -16.598 5.186 1.00 1.00 C ATOM 56 CD GLU A 4 66.728 -17.400 4.569 1.00 1.00 C ATOM 57 OE1 GLU A 4 66.597 -18.610 4.478 1.00 1.00 O ATOM 58 OE2 GLU A 4 67.718 -16.791 4.198 1.00 1.00 O ATOM 0 H GLU A 4 65.100 -18.021 2.255 1.00 1.00 H new ATOM 0 HA GLU A 4 64.164 -18.702 4.969 1.00 1.00 H new ATOM 0 HB2 GLU A 4 64.576 -16.200 3.314 1.00 1.00 H new ATOM 0 HB3 GLU A 4 63.525 -16.121 4.714 1.00 1.00 H new ATOM 0 HG2 GLU A 4 65.882 -15.560 5.325 1.00 1.00 H new ATOM 0 HG3 GLU A 4 65.335 -16.994 6.172 1.00 1.00 H new ATOM 65 N PRO A 5 61.646 -18.639 4.656 1.00 1.00 N ATOM 66 CA PRO A 5 60.177 -18.761 4.441 1.00 1.00 C ATOM 67 C PRO A 5 59.613 -17.613 3.589 1.00 1.00 C ATOM 68 O PRO A 5 59.413 -16.518 4.077 1.00 1.00 O ATOM 69 CB PRO A 5 59.615 -18.701 5.861 1.00 1.00 C ATOM 70 CG PRO A 5 60.682 -19.296 6.721 1.00 1.00 C ATOM 71 CD PRO A 5 62.023 -19.034 6.023 1.00 1.00 C ATOM 0 HA PRO A 5 59.914 -19.669 3.898 1.00 1.00 H new ATOM 0 HB2 PRO A 5 59.396 -17.675 6.156 1.00 1.00 H new ATOM 0 HB3 PRO A 5 58.684 -19.262 5.942 1.00 1.00 H new ATOM 0 HG2 PRO A 5 60.671 -18.847 7.714 1.00 1.00 H new ATOM 0 HG3 PRO A 5 60.519 -20.366 6.852 1.00 1.00 H new ATOM 0 HD2 PRO A 5 62.586 -18.247 6.524 1.00 1.00 H new ATOM 0 HD3 PRO A 5 62.652 -19.924 6.021 1.00 1.00 H new ATOM 79 N PRO A 6 59.361 -17.857 2.327 1.00 1.00 N ATOM 80 CA PRO A 6 58.816 -16.826 1.404 1.00 1.00 C ATOM 81 C PRO A 6 57.289 -16.721 1.489 1.00 1.00 C ATOM 82 O PRO A 6 56.594 -17.713 1.588 1.00 1.00 O ATOM 83 CB PRO A 6 59.248 -17.332 0.028 1.00 1.00 C ATOM 84 CG PRO A 6 59.295 -18.821 0.160 1.00 1.00 C ATOM 85 CD PRO A 6 59.571 -19.139 1.635 1.00 1.00 C ATOM 0 HA PRO A 6 59.179 -15.825 1.639 1.00 1.00 H new ATOM 0 HB2 PRO A 6 58.542 -17.026 -0.744 1.00 1.00 H new ATOM 0 HB3 PRO A 6 60.221 -16.930 -0.253 1.00 1.00 H new ATOM 0 HG2 PRO A 6 58.352 -19.265 -0.159 1.00 1.00 H new ATOM 0 HG3 PRO A 6 60.075 -19.239 -0.476 1.00 1.00 H new ATOM 0 HD2 PRO A 6 58.896 -19.909 2.009 1.00 1.00 H new ATOM 0 HD3 PRO A 6 60.586 -19.508 1.780 1.00 1.00 H new ATOM 93 N LYS A 7 56.764 -15.524 1.448 1.00 1.00 N ATOM 94 CA LYS A 7 55.283 -15.345 1.523 1.00 1.00 C ATOM 95 C LYS A 7 54.830 -14.416 0.395 1.00 1.00 C ATOM 96 O LYS A 7 55.537 -14.206 -0.570 1.00 1.00 O ATOM 97 CB LYS A 7 54.908 -14.726 2.873 1.00 1.00 C ATOM 98 CG LYS A 7 55.427 -15.611 4.008 1.00 1.00 C ATOM 99 CD LYS A 7 56.783 -15.087 4.485 1.00 1.00 C ATOM 100 CE LYS A 7 57.291 -15.957 5.636 1.00 1.00 C ATOM 101 NZ LYS A 7 56.358 -15.844 6.793 1.00 1.00 N ATOM 0 H LYS A 7 57.299 -14.660 1.366 1.00 1.00 H new ATOM 0 HA LYS A 7 54.793 -16.314 1.421 1.00 1.00 H new ATOM 0 HB2 LYS A 7 55.333 -13.726 2.956 1.00 1.00 H new ATOM 0 HB3 LYS A 7 53.826 -14.620 2.947 1.00 1.00 H new ATOM 0 HG2 LYS A 7 54.716 -15.615 4.834 1.00 1.00 H new ATOM 0 HG3 LYS A 7 55.524 -16.641 3.665 1.00 1.00 H new ATOM 0 HD2 LYS A 7 57.499 -15.099 3.663 1.00 1.00 H new ATOM 0 HD3 LYS A 7 56.690 -14.051 4.812 1.00 1.00 H new ATOM 0 HE2 LYS A 7 57.366 -16.996 5.315 1.00 1.00 H new ATOM 0 HE3 LYS A 7 58.292 -15.642 5.930 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 56.851 -16.123 7.665 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 56.030 -14.861 6.880 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 55.541 -16.470 6.642 1.00 1.00 H new ATOM 115 N ALA A 8 53.656 -13.857 0.508 1.00 1.00 N ATOM 116 CA ALA A 8 53.163 -12.942 -0.559 1.00 1.00 C ATOM 117 C ALA A 8 54.056 -11.701 -0.615 1.00 1.00 C ATOM 118 O ALA A 8 53.653 -10.617 -0.244 1.00 1.00 O ATOM 119 CB ALA A 8 51.725 -12.522 -0.248 1.00 1.00 C ATOM 0 H ALA A 8 53.018 -13.994 1.292 1.00 1.00 H new ATOM 0 HA ALA A 8 53.190 -13.455 -1.520 1.00 1.00 H new ATOM 0 HB1 ALA A 8 51.365 -11.852 -1.029 1.00 1.00 H new ATOM 0 HB2 ALA A 8 51.089 -13.406 -0.206 1.00 1.00 H new ATOM 0 HB3 ALA A 8 51.696 -12.008 0.713 1.00 1.00 H new ATOM 125 N GLU A 9 55.268 -11.852 -1.075 1.00 1.00 N ATOM 126 CA GLU A 9 56.187 -10.682 -1.153 1.00 1.00 C ATOM 127 C GLU A 9 55.899 -9.890 -2.431 1.00 1.00 C ATOM 128 O GLU A 9 55.913 -10.426 -3.521 1.00 1.00 O ATOM 129 CB GLU A 9 57.638 -11.174 -1.170 1.00 1.00 C ATOM 130 CG GLU A 9 58.574 -10.021 -0.802 1.00 1.00 C ATOM 131 CD GLU A 9 58.539 -9.797 0.711 1.00 1.00 C ATOM 132 OE1 GLU A 9 57.667 -10.360 1.353 1.00 1.00 O ATOM 133 OE2 GLU A 9 59.383 -9.066 1.201 1.00 1.00 O ATOM 0 H GLU A 9 55.661 -12.735 -1.400 1.00 1.00 H new ATOM 0 HA GLU A 9 56.032 -10.039 -0.287 1.00 1.00 H new ATOM 0 HB2 GLU A 9 57.762 -11.996 -0.465 1.00 1.00 H new ATOM 0 HB3 GLU A 9 57.890 -11.560 -2.158 1.00 1.00 H new ATOM 0 HG2 GLU A 9 59.591 -10.247 -1.123 1.00 1.00 H new ATOM 0 HG3 GLU A 9 58.270 -9.112 -1.322 1.00 1.00 H new ATOM 140 N CYS A 10 55.638 -8.618 -2.304 1.00 1.00 N ATOM 141 CA CYS A 10 55.350 -7.791 -3.509 1.00 1.00 C ATOM 142 C CYS A 10 56.445 -8.018 -4.555 1.00 1.00 C ATOM 143 O CYS A 10 57.375 -8.770 -4.339 1.00 1.00 O ATOM 144 CB CYS A 10 55.312 -6.312 -3.112 1.00 1.00 C ATOM 145 SG CYS A 10 53.594 -5.793 -2.878 1.00 1.00 S ATOM 0 H CYS A 10 55.612 -8.115 -1.417 1.00 1.00 H new ATOM 0 HA CYS A 10 54.386 -8.077 -3.929 1.00 1.00 H new ATOM 0 HB2 CYS A 10 55.878 -6.156 -2.194 1.00 1.00 H new ATOM 0 HB3 CYS A 10 55.784 -5.705 -3.884 1.00 1.00 H new ATOM 150 N ARG A 11 56.340 -7.377 -5.688 1.00 1.00 N ATOM 151 CA ARG A 11 57.372 -7.557 -6.750 1.00 1.00 C ATOM 152 C ARG A 11 57.190 -8.929 -7.406 1.00 1.00 C ATOM 153 O ARG A 11 56.089 -9.426 -7.530 1.00 1.00 O ATOM 154 CB ARG A 11 58.773 -7.460 -6.129 1.00 1.00 C ATOM 155 CG ARG A 11 59.750 -6.889 -7.158 1.00 1.00 C ATOM 156 CD ARG A 11 59.432 -5.412 -7.400 1.00 1.00 C ATOM 157 NE ARG A 11 60.657 -4.596 -7.170 1.00 1.00 N ATOM 158 CZ ARG A 11 60.986 -4.241 -5.958 1.00 1.00 C ATOM 159 NH1 ARG A 11 60.242 -4.601 -4.948 1.00 1.00 N ATOM 160 NH2 ARG A 11 62.059 -3.526 -5.756 1.00 1.00 N ATOM 0 H ARG A 11 55.583 -6.736 -5.924 1.00 1.00 H new ATOM 0 HA ARG A 11 57.261 -6.777 -7.504 1.00 1.00 H new ATOM 0 HB2 ARG A 11 58.747 -6.823 -5.245 1.00 1.00 H new ATOM 0 HB3 ARG A 11 59.107 -8.445 -5.803 1.00 1.00 H new ATOM 0 HG2 ARG A 11 60.774 -6.998 -6.802 1.00 1.00 H new ATOM 0 HG3 ARG A 11 59.677 -7.445 -8.092 1.00 1.00 H new ATOM 0 HD2 ARG A 11 59.073 -5.269 -8.419 1.00 1.00 H new ATOM 0 HD3 ARG A 11 58.635 -5.086 -6.732 1.00 1.00 H new ATOM 0 HE ARG A 11 61.238 -4.315 -7.960 1.00 1.00 H new ATOM 0 HH11 ARG A 11 59.403 -5.160 -5.106 1.00 1.00 H new ATOM 0 HH12 ARG A 11 60.499 -4.324 -4.001 1.00 1.00 H new ATOM 0 HH21 ARG A 11 62.640 -3.245 -6.545 1.00 1.00 H new ATOM 0 HH22 ARG A 11 62.316 -3.249 -4.809 1.00 1.00 H new ATOM 174 N SER A 12 58.261 -9.544 -7.827 1.00 1.00 N ATOM 175 CA SER A 12 58.145 -10.882 -8.474 1.00 1.00 C ATOM 176 C SER A 12 59.502 -11.587 -8.438 1.00 1.00 C ATOM 177 O SER A 12 59.845 -12.246 -7.477 1.00 1.00 O ATOM 178 CB SER A 12 57.698 -10.708 -9.926 1.00 1.00 C ATOM 179 OG SER A 12 58.566 -9.792 -10.578 1.00 1.00 O ATOM 0 H SER A 12 59.210 -9.179 -7.751 1.00 1.00 H new ATOM 0 HA SER A 12 57.411 -11.483 -7.937 1.00 1.00 H new ATOM 0 HB2 SER A 12 57.712 -11.669 -10.440 1.00 1.00 H new ATOM 0 HB3 SER A 12 56.672 -10.342 -9.961 1.00 1.00 H new ATOM 0 HG SER A 12 58.283 -9.680 -11.510 1.00 1.00 H new ATOM 185 N ALA A 13 60.278 -11.455 -9.480 1.00 1.00 N ATOM 186 CA ALA A 13 61.611 -12.120 -9.504 1.00 1.00 C ATOM 187 C ALA A 13 62.458 -11.530 -10.633 1.00 1.00 C ATOM 188 O ALA A 13 63.147 -12.238 -11.340 1.00 1.00 O ATOM 189 CB ALA A 13 61.428 -13.621 -9.738 1.00 1.00 C ATOM 0 H ALA A 13 60.046 -10.916 -10.314 1.00 1.00 H new ATOM 0 HA ALA A 13 62.113 -11.958 -8.550 1.00 1.00 H new ATOM 0 HB1 ALA A 13 62.403 -14.108 -9.756 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.826 -14.044 -8.934 1.00 1.00 H new ATOM 0 HB3 ALA A 13 60.925 -13.782 -10.691 1.00 1.00 H new ATOM 195 N THR A 14 62.414 -10.236 -10.807 1.00 1.00 N ATOM 196 CA THR A 14 63.217 -9.596 -11.889 1.00 1.00 C ATOM 197 C THR A 14 64.504 -9.023 -11.295 1.00 1.00 C ATOM 198 O THR A 14 64.647 -7.827 -11.137 1.00 1.00 O ATOM 199 CB THR A 14 62.403 -8.467 -12.526 1.00 1.00 C ATOM 200 OG1 THR A 14 62.160 -7.457 -11.557 1.00 1.00 O ATOM 201 CG2 THR A 14 61.071 -9.020 -13.036 1.00 1.00 C ATOM 0 H THR A 14 61.855 -9.593 -10.245 1.00 1.00 H new ATOM 0 HA THR A 14 63.465 -10.339 -12.647 1.00 1.00 H new ATOM 0 HB THR A 14 62.960 -8.043 -13.361 1.00 1.00 H new ATOM 0 HG1 THR A 14 63.014 -7.099 -11.237 1.00 1.00 H new ATOM 0 HG21 THR A 14 60.492 -8.215 -13.489 1.00 1.00 H new ATOM 0 HG22 THR A 14 61.259 -9.795 -13.779 1.00 1.00 H new ATOM 0 HG23 THR A 14 60.511 -9.445 -12.203 1.00 1.00 H new ATOM 209 N ARG A 15 65.443 -9.867 -10.962 1.00 1.00 N ATOM 210 CA ARG A 15 66.721 -9.371 -10.377 1.00 1.00 C ATOM 211 C ARG A 15 67.863 -10.306 -10.780 1.00 1.00 C ATOM 212 O ARG A 15 68.998 -9.894 -10.916 1.00 1.00 O ATOM 213 CB ARG A 15 66.604 -9.337 -8.850 1.00 1.00 C ATOM 214 CG ARG A 15 67.736 -8.489 -8.267 1.00 1.00 C ATOM 215 CD ARG A 15 67.364 -7.008 -8.359 1.00 1.00 C ATOM 216 NE ARG A 15 67.022 -6.496 -7.002 1.00 1.00 N ATOM 217 CZ ARG A 15 65.781 -6.499 -6.598 1.00 1.00 C ATOM 218 NH1 ARG A 15 64.840 -6.949 -7.383 1.00 1.00 N ATOM 219 NH2 ARG A 15 65.481 -6.051 -5.410 1.00 1.00 N ATOM 0 H ARG A 15 65.380 -10.879 -11.070 1.00 1.00 H new ATOM 0 HA ARG A 15 66.925 -8.367 -10.748 1.00 1.00 H new ATOM 0 HB2 ARG A 15 65.639 -8.923 -8.558 1.00 1.00 H new ATOM 0 HB3 ARG A 15 66.651 -10.349 -8.449 1.00 1.00 H new ATOM 0 HG2 ARG A 15 67.914 -8.766 -7.228 1.00 1.00 H new ATOM 0 HG3 ARG A 15 68.662 -8.677 -8.810 1.00 1.00 H new ATOM 0 HD2 ARG A 15 68.195 -6.439 -8.775 1.00 1.00 H new ATOM 0 HD3 ARG A 15 66.518 -6.876 -9.033 1.00 1.00 H new ATOM 0 HE ARG A 15 67.757 -6.143 -6.389 1.00 1.00 H new ATOM 0 HH11 ARG A 15 65.075 -7.298 -8.312 1.00 1.00 H new ATOM 0 HH12 ARG A 15 63.870 -6.951 -7.067 1.00 1.00 H new ATOM 0 HH21 ARG A 15 66.216 -5.698 -4.797 1.00 1.00 H new ATOM 0 HH22 ARG A 15 64.511 -6.053 -5.094 1.00 1.00 H new ATOM 233 N VAL A 16 67.573 -11.564 -10.970 1.00 1.00 N ATOM 234 CA VAL A 16 68.642 -12.525 -11.363 1.00 1.00 C ATOM 235 C VAL A 16 69.371 -12.002 -12.602 1.00 1.00 C ATOM 236 O VAL A 16 69.017 -12.316 -13.721 1.00 1.00 O ATOM 237 CB VAL A 16 68.015 -13.884 -11.676 1.00 1.00 C ATOM 238 CG1 VAL A 16 69.120 -14.904 -11.959 1.00 1.00 C ATOM 239 CG2 VAL A 16 67.188 -14.351 -10.476 1.00 1.00 C ATOM 0 H VAL A 16 66.642 -11.968 -10.870 1.00 1.00 H new ATOM 0 HA VAL A 16 69.352 -12.632 -10.543 1.00 1.00 H new ATOM 0 HB VAL A 16 67.371 -13.794 -12.551 1.00 1.00 H new ATOM 0 HG11 VAL A 16 68.673 -15.873 -12.182 1.00 1.00 H new ATOM 0 HG12 VAL A 16 69.711 -14.572 -12.812 1.00 1.00 H new ATOM 0 HG13 VAL A 16 69.764 -14.995 -11.084 1.00 1.00 H new ATOM 0 HG21 VAL A 16 66.740 -15.320 -10.698 1.00 1.00 H new ATOM 0 HG22 VAL A 16 67.833 -14.441 -9.602 1.00 1.00 H new ATOM 0 HG23 VAL A 16 66.400 -13.625 -10.272 1.00 1.00 H new ATOM 249 N MET A 17 70.388 -11.207 -12.412 1.00 1.00 N ATOM 250 CA MET A 17 71.140 -10.665 -13.580 1.00 1.00 C ATOM 251 C MET A 17 70.172 -9.943 -14.519 1.00 1.00 C ATOM 252 O MET A 17 69.849 -10.428 -15.585 1.00 1.00 O ATOM 253 CB MET A 17 71.816 -11.815 -14.330 1.00 1.00 C ATOM 254 CG MET A 17 72.859 -11.252 -15.297 1.00 1.00 C ATOM 255 SD MET A 17 73.560 -12.600 -16.280 1.00 1.00 S ATOM 256 CE MET A 17 74.453 -11.570 -17.472 1.00 1.00 C ATOM 0 H MET A 17 70.731 -10.909 -11.499 1.00 1.00 H new ATOM 0 HA MET A 17 71.898 -9.964 -13.230 1.00 1.00 H new ATOM 0 HB2 MET A 17 72.290 -12.495 -13.623 1.00 1.00 H new ATOM 0 HB3 MET A 17 71.072 -12.393 -14.878 1.00 1.00 H new ATOM 0 HG2 MET A 17 72.401 -10.510 -15.952 1.00 1.00 H new ATOM 0 HG3 MET A 17 73.648 -10.744 -14.742 1.00 1.00 H new ATOM 0 HE1 MET A 17 74.970 -12.208 -18.189 1.00 1.00 H new ATOM 0 HE2 MET A 17 73.747 -10.929 -18.000 1.00 1.00 H new ATOM 0 HE3 MET A 17 75.181 -10.952 -16.946 1.00 1.00 H new ATOM 266 N GLY A 18 69.707 -8.787 -14.133 1.00 1.00 N ATOM 267 CA GLY A 18 68.761 -8.036 -15.006 1.00 1.00 C ATOM 268 C GLY A 18 68.213 -6.827 -14.245 1.00 1.00 C ATOM 269 O GLY A 18 68.834 -6.325 -13.329 1.00 1.00 O ATOM 0 H GLY A 18 69.941 -8.330 -13.252 1.00 1.00 H new ATOM 0 HA2 GLY A 18 69.269 -7.708 -15.913 1.00 1.00 H new ATOM 0 HA3 GLY A 18 67.942 -8.685 -15.316 1.00 1.00 H new ATOM 273 N GLY A 19 67.055 -6.355 -14.616 1.00 1.00 N ATOM 274 CA GLY A 19 66.469 -5.180 -13.911 1.00 1.00 C ATOM 275 C GLY A 19 67.124 -3.895 -14.423 1.00 1.00 C ATOM 276 O GLY A 19 67.899 -3.267 -13.730 1.00 1.00 O ATOM 0 H GLY A 19 66.489 -6.732 -15.376 1.00 1.00 H new ATOM 0 HA2 GLY A 19 65.392 -5.143 -14.078 1.00 1.00 H new ATOM 0 HA3 GLY A 19 66.622 -5.275 -12.836 1.00 1.00 H new ATOM 280 N PRO A 20 66.813 -3.509 -15.631 1.00 1.00 N ATOM 281 CA PRO A 20 67.376 -2.277 -16.255 1.00 1.00 C ATOM 282 C PRO A 20 67.324 -1.073 -15.307 1.00 1.00 C ATOM 283 O PRO A 20 66.311 -0.796 -14.697 1.00 1.00 O ATOM 284 CB PRO A 20 66.478 -2.048 -17.473 1.00 1.00 C ATOM 285 CG PRO A 20 65.964 -3.401 -17.838 1.00 1.00 C ATOM 286 CD PRO A 20 65.888 -4.207 -16.539 1.00 1.00 C ATOM 0 HA PRO A 20 68.430 -2.392 -16.509 1.00 1.00 H new ATOM 0 HB2 PRO A 20 65.661 -1.366 -17.237 1.00 1.00 H new ATOM 0 HB3 PRO A 20 67.037 -1.603 -18.297 1.00 1.00 H new ATOM 0 HG2 PRO A 20 64.983 -3.329 -18.307 1.00 1.00 H new ATOM 0 HG3 PRO A 20 66.625 -3.886 -18.556 1.00 1.00 H new ATOM 0 HD2 PRO A 20 64.874 -4.225 -16.139 1.00 1.00 H new ATOM 0 HD3 PRO A 20 66.188 -5.243 -16.694 1.00 1.00 H new ATOM 294 N CYS A 21 68.413 -0.361 -15.180 1.00 1.00 N ATOM 295 CA CYS A 21 68.441 0.825 -14.275 1.00 1.00 C ATOM 296 C CYS A 21 68.705 2.088 -15.099 1.00 1.00 C ATOM 297 O CYS A 21 69.835 2.415 -15.404 1.00 1.00 O ATOM 298 CB CYS A 21 69.555 0.646 -13.239 1.00 1.00 C ATOM 299 SG CYS A 21 68.884 -0.156 -11.762 1.00 1.00 S ATOM 0 H CYS A 21 69.289 -0.552 -15.667 1.00 1.00 H new ATOM 0 HA CYS A 21 67.482 0.919 -13.765 1.00 1.00 H new ATOM 0 HB2 CYS A 21 70.362 0.044 -13.657 1.00 1.00 H new ATOM 0 HB3 CYS A 21 69.982 1.614 -12.978 1.00 1.00 H new ATOM 304 N THR A 22 67.674 2.801 -15.459 1.00 1.00 N ATOM 305 CA THR A 22 67.871 4.042 -16.260 1.00 1.00 C ATOM 306 C THR A 22 68.525 5.112 -15.379 1.00 1.00 C ATOM 307 O THR A 22 68.363 5.113 -14.175 1.00 1.00 O ATOM 308 CB THR A 22 66.513 4.550 -16.758 1.00 1.00 C ATOM 309 OG1 THR A 22 66.551 5.966 -16.868 1.00 1.00 O ATOM 310 CG2 THR A 22 65.419 4.141 -15.770 1.00 1.00 C ATOM 0 H THR A 22 66.704 2.578 -15.234 1.00 1.00 H new ATOM 0 HA THR A 22 68.513 3.828 -17.115 1.00 1.00 H new ATOM 0 HB THR A 22 66.297 4.115 -17.734 1.00 1.00 H new ATOM 0 HG1 THR A 22 65.684 6.293 -17.188 1.00 1.00 H new ATOM 0 HG21 THR A 22 64.454 4.503 -16.125 1.00 1.00 H new ATOM 0 HG22 THR A 22 65.391 3.054 -15.687 1.00 1.00 H new ATOM 0 HG23 THR A 22 65.631 4.574 -14.792 1.00 1.00 H new ATOM 318 N PRO A 23 69.259 6.019 -15.973 1.00 1.00 N ATOM 319 CA PRO A 23 69.947 7.112 -15.225 1.00 1.00 C ATOM 320 C PRO A 23 68.955 8.144 -14.674 1.00 1.00 C ATOM 321 O PRO A 23 68.994 9.308 -15.021 1.00 1.00 O ATOM 322 CB PRO A 23 70.869 7.746 -16.273 1.00 1.00 C ATOM 323 CG PRO A 23 70.230 7.443 -17.588 1.00 1.00 C ATOM 324 CD PRO A 23 69.509 6.104 -17.421 1.00 1.00 C ATOM 0 HA PRO A 23 70.482 6.738 -14.352 1.00 1.00 H new ATOM 0 HB2 PRO A 23 70.961 8.821 -16.118 1.00 1.00 H new ATOM 0 HB3 PRO A 23 71.874 7.328 -16.218 1.00 1.00 H new ATOM 0 HG2 PRO A 23 69.529 8.229 -17.869 1.00 1.00 H new ATOM 0 HG3 PRO A 23 70.978 7.385 -18.379 1.00 1.00 H new ATOM 0 HD2 PRO A 23 68.580 6.076 -17.990 1.00 1.00 H new ATOM 0 HD3 PRO A 23 70.122 5.273 -17.771 1.00 1.00 H new ATOM 332 N ARG A 24 68.065 7.723 -13.816 1.00 1.00 N ATOM 333 CA ARG A 24 67.069 8.674 -13.242 1.00 1.00 C ATOM 334 C ARG A 24 66.763 8.275 -11.797 1.00 1.00 C ATOM 335 O ARG A 24 65.704 7.757 -11.498 1.00 1.00 O ATOM 336 CB ARG A 24 65.780 8.624 -14.068 1.00 1.00 C ATOM 337 CG ARG A 24 65.981 9.384 -15.381 1.00 1.00 C ATOM 338 CD ARG A 24 66.143 10.877 -15.087 1.00 1.00 C ATOM 339 NE ARG A 24 65.524 11.669 -16.187 1.00 1.00 N ATOM 340 CZ ARG A 24 66.128 11.768 -17.340 1.00 1.00 C ATOM 341 NH1 ARG A 24 67.274 11.173 -17.529 1.00 1.00 N ATOM 342 NH2 ARG A 24 65.587 12.461 -18.303 1.00 1.00 N ATOM 0 H ARG A 24 67.984 6.761 -13.487 1.00 1.00 H new ATOM 0 HA ARG A 24 67.475 9.685 -13.264 1.00 1.00 H new ATOM 0 HB2 ARG A 24 65.508 7.589 -14.274 1.00 1.00 H new ATOM 0 HB3 ARG A 24 64.958 9.064 -13.504 1.00 1.00 H new ATOM 0 HG2 ARG A 24 66.862 9.007 -15.900 1.00 1.00 H new ATOM 0 HG3 ARG A 24 65.129 9.223 -16.041 1.00 1.00 H new ATOM 0 HD2 ARG A 24 65.671 11.125 -14.136 1.00 1.00 H new ATOM 0 HD3 ARG A 24 67.200 11.128 -14.994 1.00 1.00 H new ATOM 0 HE ARG A 24 64.628 12.134 -16.039 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.697 10.631 -16.776 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.746 11.250 -18.430 1.00 1.00 H new ATOM 0 HH21 ARG A 24 64.691 12.926 -18.156 1.00 1.00 H new ATOM 0 HH22 ARG A 24 66.060 12.538 -19.204 1.00 1.00 H new ATOM 356 N LYS A 25 67.683 8.511 -10.897 1.00 1.00 N ATOM 357 CA LYS A 25 67.452 8.147 -9.467 1.00 1.00 C ATOM 358 C LYS A 25 67.733 9.364 -8.582 1.00 1.00 C ATOM 359 O LYS A 25 67.848 9.254 -7.377 1.00 1.00 O ATOM 360 CB LYS A 25 68.382 6.994 -9.070 1.00 1.00 C ATOM 361 CG LYS A 25 69.725 7.147 -9.787 1.00 1.00 C ATOM 362 CD LYS A 25 70.388 8.457 -9.356 1.00 1.00 C ATOM 363 CE LYS A 25 71.889 8.388 -9.645 1.00 1.00 C ATOM 364 NZ LYS A 25 72.108 8.296 -11.116 1.00 1.00 N ATOM 0 H LYS A 25 68.587 8.941 -11.092 1.00 1.00 H new ATOM 0 HA LYS A 25 66.417 7.833 -9.335 1.00 1.00 H new ATOM 0 HB2 LYS A 25 68.533 6.991 -7.991 1.00 1.00 H new ATOM 0 HB3 LYS A 25 67.926 6.039 -9.331 1.00 1.00 H new ATOM 0 HG2 LYS A 25 70.374 6.304 -9.550 1.00 1.00 H new ATOM 0 HG3 LYS A 25 69.576 7.141 -10.867 1.00 1.00 H new ATOM 0 HD2 LYS A 25 69.942 9.296 -9.890 1.00 1.00 H new ATOM 0 HD3 LYS A 25 70.219 8.630 -8.293 1.00 1.00 H new ATOM 0 HE2 LYS A 25 72.388 9.272 -9.247 1.00 1.00 H new ATOM 0 HE3 LYS A 25 72.327 7.523 -9.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 73.117 8.436 -11.326 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 71.811 7.358 -11.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 71.549 9.030 -11.597 1.00 1.00 H new ATOM 378 N GLY A 26 67.840 10.525 -9.169 1.00 1.00 N ATOM 379 CA GLY A 26 68.108 11.747 -8.360 1.00 1.00 C ATOM 380 C GLY A 26 69.480 11.635 -7.690 1.00 1.00 C ATOM 381 O GLY A 26 69.587 11.290 -6.530 1.00 1.00 O ATOM 0 H GLY A 26 67.753 10.680 -10.173 1.00 1.00 H new ATOM 0 HA2 GLY A 26 68.075 12.631 -8.997 1.00 1.00 H new ATOM 0 HA3 GLY A 26 67.333 11.871 -7.604 1.00 1.00 H new ATOM 385 N PRO A 27 70.517 11.925 -8.423 1.00 1.00 N ATOM 386 CA PRO A 27 71.919 11.863 -7.913 1.00 1.00 C ATOM 387 C PRO A 27 72.166 12.886 -6.796 1.00 1.00 C ATOM 388 O PRO A 27 71.407 13.820 -6.626 1.00 1.00 O ATOM 389 CB PRO A 27 72.783 12.183 -9.147 1.00 1.00 C ATOM 390 CG PRO A 27 71.881 12.050 -10.330 1.00 1.00 C ATOM 391 CD PRO A 27 70.468 12.342 -9.831 1.00 1.00 C ATOM 0 HA PRO A 27 72.149 10.892 -7.473 1.00 1.00 H new ATOM 0 HB2 PRO A 27 73.196 13.190 -9.083 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.626 11.497 -9.221 1.00 1.00 H new ATOM 0 HG2 PRO A 27 72.167 12.748 -11.117 1.00 1.00 H new ATOM 0 HG3 PRO A 27 71.943 11.048 -10.755 1.00 1.00 H new ATOM 0 HD2 PRO A 27 70.216 13.398 -9.930 1.00 1.00 H new ATOM 0 HD3 PRO A 27 69.719 11.782 -10.391 1.00 1.00 H new ATOM 399 N PRO A 28 73.220 12.711 -6.042 1.00 1.00 N ATOM 400 CA PRO A 28 73.573 13.631 -4.926 1.00 1.00 C ATOM 401 C PRO A 28 73.327 15.101 -5.282 1.00 1.00 C ATOM 402 O PRO A 28 73.662 15.554 -6.359 1.00 1.00 O ATOM 403 CB PRO A 28 75.063 13.366 -4.715 1.00 1.00 C ATOM 404 CG PRO A 28 75.262 11.941 -5.115 1.00 1.00 C ATOM 405 CD PRO A 28 74.197 11.617 -6.169 1.00 1.00 C ATOM 0 HA PRO A 28 72.966 13.454 -4.038 1.00 1.00 H new ATOM 0 HB2 PRO A 28 75.673 14.035 -5.322 1.00 1.00 H new ATOM 0 HB3 PRO A 28 75.350 13.528 -3.676 1.00 1.00 H new ATOM 0 HG2 PRO A 28 76.263 11.790 -5.520 1.00 1.00 H new ATOM 0 HG3 PRO A 28 75.164 11.281 -4.253 1.00 1.00 H new ATOM 0 HD2 PRO A 28 74.626 11.580 -7.170 1.00 1.00 H new ATOM 0 HD3 PRO A 28 73.735 10.647 -5.984 1.00 1.00 H new ATOM 413 N LYS A 29 72.745 15.848 -4.384 1.00 1.00 N ATOM 414 CA LYS A 29 72.478 17.286 -4.668 1.00 1.00 C ATOM 415 C LYS A 29 72.098 17.998 -3.369 1.00 1.00 C ATOM 416 O LYS A 29 72.488 19.124 -3.130 1.00 1.00 O ATOM 417 CB LYS A 29 71.328 17.404 -5.670 1.00 1.00 C ATOM 418 CG LYS A 29 71.268 18.833 -6.213 1.00 1.00 C ATOM 419 CD LYS A 29 69.962 19.033 -6.984 1.00 1.00 C ATOM 420 CE LYS A 29 69.922 18.076 -8.177 1.00 1.00 C ATOM 421 NZ LYS A 29 68.939 18.574 -9.180 1.00 1.00 N ATOM 0 H LYS A 29 72.443 15.524 -3.465 1.00 1.00 H new ATOM 0 HA LYS A 29 73.373 17.746 -5.088 1.00 1.00 H new ATOM 0 HB2 LYS A 29 71.471 16.698 -6.488 1.00 1.00 H new ATOM 0 HB3 LYS A 29 70.384 17.147 -5.189 1.00 1.00 H new ATOM 0 HG2 LYS A 29 71.331 19.548 -5.393 1.00 1.00 H new ATOM 0 HG3 LYS A 29 72.120 19.021 -6.866 1.00 1.00 H new ATOM 0 HD2 LYS A 29 69.109 18.851 -6.330 1.00 1.00 H new ATOM 0 HD3 LYS A 29 69.885 20.064 -7.329 1.00 1.00 H new ATOM 0 HE2 LYS A 29 70.911 17.999 -8.628 1.00 1.00 H new ATOM 0 HE3 LYS A 29 69.644 17.076 -7.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 68.911 17.924 -9.991 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 67.996 18.626 -8.745 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 69.223 19.520 -9.504 1.00 1.00 H new ATOM 435 N CYS A 30 71.340 17.351 -2.527 1.00 1.00 N ATOM 436 CA CYS A 30 70.937 17.991 -1.243 1.00 1.00 C ATOM 437 C CYS A 30 72.123 17.985 -0.277 1.00 1.00 C ATOM 438 O CYS A 30 71.956 17.982 0.926 1.00 1.00 O ATOM 439 CB CYS A 30 69.773 17.211 -0.628 1.00 1.00 C ATOM 440 SG CYS A 30 70.198 15.453 -0.552 1.00 1.00 S ATOM 0 HA CYS A 30 70.626 19.019 -1.430 1.00 1.00 H new ATOM 0 HB2 CYS A 30 69.557 17.587 0.372 1.00 1.00 H new ATOM 0 HB3 CYS A 30 68.871 17.353 -1.224 1.00 1.00 H new ATOM 445 N LYS A 31 73.321 17.984 -0.795 1.00 1.00 N ATOM 446 CA LYS A 31 74.517 17.980 0.093 1.00 1.00 C ATOM 447 C LYS A 31 74.394 16.844 1.111 1.00 1.00 C ATOM 448 O LYS A 31 73.558 15.971 0.982 1.00 1.00 O ATOM 449 CB LYS A 31 74.612 19.318 0.833 1.00 1.00 C ATOM 450 CG LYS A 31 74.703 20.460 -0.181 1.00 1.00 C ATOM 451 CD LYS A 31 76.163 20.665 -0.590 1.00 1.00 C ATOM 452 CE LYS A 31 76.844 21.610 0.402 1.00 1.00 C ATOM 453 NZ LYS A 31 78.231 21.900 -0.059 1.00 1.00 N ATOM 0 H LYS A 31 73.523 17.986 -1.795 1.00 1.00 H new ATOM 0 HA LYS A 31 75.413 17.834 -0.510 1.00 1.00 H new ATOM 0 HB2 LYS A 31 73.740 19.454 1.472 1.00 1.00 H new ATOM 0 HB3 LYS A 31 75.487 19.324 1.483 1.00 1.00 H new ATOM 0 HG2 LYS A 31 74.097 20.231 -1.058 1.00 1.00 H new ATOM 0 HG3 LYS A 31 74.303 21.377 0.252 1.00 1.00 H new ATOM 0 HD2 LYS A 31 76.683 19.707 -0.612 1.00 1.00 H new ATOM 0 HD3 LYS A 31 76.215 21.079 -1.597 1.00 1.00 H new ATOM 0 HE2 LYS A 31 76.276 22.537 0.486 1.00 1.00 H new ATOM 0 HE3 LYS A 31 76.866 21.159 1.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 78.694 22.542 0.615 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 78.770 21.013 -0.118 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 78.199 22.348 -0.997 1.00 1.00 H new ATOM 467 N GLN A 32 75.222 16.850 2.122 1.00 1.00 N ATOM 468 CA GLN A 32 75.162 15.774 3.156 1.00 1.00 C ATOM 469 C GLN A 32 74.628 16.356 4.467 1.00 1.00 C ATOM 470 O GLN A 32 74.803 15.787 5.526 1.00 1.00 O ATOM 471 CB GLN A 32 76.569 15.209 3.380 1.00 1.00 C ATOM 472 CG GLN A 32 77.602 16.321 3.191 1.00 1.00 C ATOM 473 CD GLN A 32 77.235 17.516 4.074 1.00 1.00 C ATOM 474 OE1 GLN A 32 76.952 17.319 5.332 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 77.204 18.639 3.613 1.00 1.00 N flip ATOM 0 H GLN A 32 75.941 17.557 2.277 1.00 1.00 H new ATOM 0 HA GLN A 32 74.499 14.977 2.818 1.00 1.00 H new ATOM 0 HB2 GLN A 32 76.649 14.791 4.383 1.00 1.00 H new ATOM 0 HB3 GLN A 32 76.762 14.396 2.680 1.00 1.00 H new ATOM 0 HG2 GLN A 32 78.596 15.956 3.450 1.00 1.00 H new ATOM 0 HG3 GLN A 32 77.637 16.626 2.145 1.00 1.00 H new ATOM 0 HE21 GLN A 32 77.425 18.793 2.629 1.00 1.00 H new ATOM 0 HE22 GLN A 32 76.957 19.429 4.210 1.00 1.00 H new ATOM 484 N ARG A 33 73.977 17.486 4.406 1.00 1.00 N ATOM 485 CA ARG A 33 73.434 18.100 5.650 1.00 1.00 C ATOM 486 C ARG A 33 72.158 17.368 6.061 1.00 1.00 C ATOM 487 O ARG A 33 71.131 17.972 6.303 1.00 1.00 O ATOM 488 CB ARG A 33 73.122 19.575 5.393 1.00 1.00 C ATOM 489 CG ARG A 33 73.083 20.331 6.722 1.00 1.00 C ATOM 490 CD ARG A 33 72.861 21.821 6.456 1.00 1.00 C ATOM 491 NE ARG A 33 71.408 22.078 6.249 1.00 1.00 N ATOM 492 CZ ARG A 33 70.619 22.228 7.278 1.00 1.00 C ATOM 493 NH1 ARG A 33 71.103 22.154 8.487 1.00 1.00 N ATOM 494 NH2 ARG A 33 69.347 22.453 7.097 1.00 1.00 N ATOM 0 H ARG A 33 73.798 18.010 3.549 1.00 1.00 H new ATOM 0 HA ARG A 33 74.170 18.020 6.450 1.00 1.00 H new ATOM 0 HB2 ARG A 33 73.878 20.008 4.739 1.00 1.00 H new ATOM 0 HB3 ARG A 33 72.165 19.671 4.881 1.00 1.00 H new ATOM 0 HG2 ARG A 33 72.283 19.940 7.351 1.00 1.00 H new ATOM 0 HG3 ARG A 33 74.017 20.183 7.264 1.00 1.00 H new ATOM 0 HD2 ARG A 33 73.229 22.410 7.296 1.00 1.00 H new ATOM 0 HD3 ARG A 33 73.425 22.132 5.577 1.00 1.00 H new ATOM 0 HE ARG A 33 71.030 22.137 5.303 1.00 1.00 H new ATOM 0 HH11 ARG A 33 72.098 21.979 8.628 1.00 1.00 H new ATOM 0 HH12 ARG A 33 70.487 22.271 9.291 1.00 1.00 H new ATOM 0 HH21 ARG A 33 68.969 22.512 6.151 1.00 1.00 H new ATOM 0 HH22 ARG A 33 68.730 22.570 7.901 1.00 1.00 H new ATOM 508 N GLN A 34 72.218 16.071 6.140 1.00 1.00 N ATOM 509 CA GLN A 34 71.013 15.287 6.534 1.00 1.00 C ATOM 510 C GLN A 34 70.727 15.503 8.022 1.00 1.00 C ATOM 511 O GLN A 34 70.560 14.563 8.773 1.00 1.00 O ATOM 512 CB GLN A 34 71.262 13.800 6.274 1.00 1.00 C ATOM 513 CG GLN A 34 72.584 13.382 6.922 1.00 1.00 C ATOM 514 CD GLN A 34 72.800 11.881 6.719 1.00 1.00 C ATOM 515 OE1 GLN A 34 73.922 11.421 6.651 1.00 1.00 O ATOM 516 NE2 GLN A 34 71.765 11.093 6.618 1.00 1.00 N ATOM 0 H GLN A 34 73.052 15.516 5.948 1.00 1.00 H new ATOM 0 HA GLN A 34 70.157 15.620 5.947 1.00 1.00 H new ATOM 0 HB2 GLN A 34 70.442 13.207 6.680 1.00 1.00 H new ATOM 0 HB3 GLN A 34 71.294 13.608 5.202 1.00 1.00 H new ATOM 0 HG2 GLN A 34 73.410 13.942 6.482 1.00 1.00 H new ATOM 0 HG3 GLN A 34 72.570 13.618 7.986 1.00 1.00 H new ATOM 0 HE21 GLN A 34 70.823 11.479 6.675 1.00 1.00 H new ATOM 0 HE22 GLN A 34 71.898 10.091 6.482 1.00 1.00 H new ATOM 525 N THR A 35 70.669 16.734 8.452 1.00 1.00 N ATOM 526 CA THR A 35 70.393 17.017 9.890 1.00 1.00 C ATOM 527 C THR A 35 71.589 16.573 10.738 1.00 1.00 C ATOM 528 O THR A 35 72.237 17.376 11.380 1.00 1.00 O ATOM 529 CB THR A 35 69.135 16.256 10.331 1.00 1.00 C ATOM 530 OG1 THR A 35 68.220 16.189 9.247 1.00 1.00 O ATOM 531 CG2 THR A 35 68.483 16.983 11.508 1.00 1.00 C ATOM 0 H THR A 35 70.801 17.559 7.867 1.00 1.00 H new ATOM 0 HA THR A 35 70.233 18.087 10.025 1.00 1.00 H new ATOM 0 HB THR A 35 69.409 15.247 10.638 1.00 1.00 H new ATOM 0 HG1 THR A 35 67.417 15.702 9.526 1.00 1.00 H new ATOM 0 HG21 THR A 35 67.590 16.442 11.820 1.00 1.00 H new ATOM 0 HG22 THR A 35 69.186 17.033 12.339 1.00 1.00 H new ATOM 0 HG23 THR A 35 68.208 17.993 11.204 1.00 1.00 H new ATOM 539 N ARG A 36 71.884 15.300 10.746 1.00 1.00 N ATOM 540 CA ARG A 36 73.036 14.799 11.552 1.00 1.00 C ATOM 541 C ARG A 36 73.809 13.758 10.740 1.00 1.00 C ATOM 542 O ARG A 36 73.586 12.570 10.863 1.00 1.00 O ATOM 543 CB ARG A 36 72.515 14.158 12.840 1.00 1.00 C ATOM 544 CG ARG A 36 73.697 13.724 13.709 1.00 1.00 C ATOM 545 CD ARG A 36 73.195 13.358 15.108 1.00 1.00 C ATOM 546 NE ARG A 36 74.263 12.621 15.841 1.00 1.00 N ATOM 547 CZ ARG A 36 74.458 11.352 15.607 1.00 1.00 C ATOM 548 NH1 ARG A 36 73.719 10.729 14.731 1.00 1.00 N ATOM 549 NH2 ARG A 36 75.393 10.707 16.250 1.00 1.00 N ATOM 0 H ARG A 36 71.375 14.584 10.228 1.00 1.00 H new ATOM 0 HA ARG A 36 73.696 15.630 11.801 1.00 1.00 H new ATOM 0 HB2 ARG A 36 71.891 14.866 13.384 1.00 1.00 H new ATOM 0 HB3 ARG A 36 71.889 13.298 12.603 1.00 1.00 H new ATOM 0 HG2 ARG A 36 74.200 12.870 13.257 1.00 1.00 H new ATOM 0 HG3 ARG A 36 74.430 14.528 13.773 1.00 1.00 H new ATOM 0 HD2 ARG A 36 72.919 14.260 15.655 1.00 1.00 H new ATOM 0 HD3 ARG A 36 72.298 12.743 15.035 1.00 1.00 H new ATOM 0 HE ARG A 36 74.841 13.108 16.525 1.00 1.00 H new ATOM 0 HH11 ARG A 36 72.989 11.234 14.229 1.00 1.00 H new ATOM 0 HH12 ARG A 36 73.872 9.737 14.548 1.00 1.00 H new ATOM 0 HH21 ARG A 36 75.971 11.195 16.935 1.00 1.00 H new ATOM 0 HH22 ARG A 36 75.546 9.715 16.068 1.00 1.00 H new ATOM 563 N GLN A 37 74.716 14.195 9.909 1.00 1.00 N ATOM 564 CA GLN A 37 75.503 13.232 9.086 1.00 1.00 C ATOM 565 C GLN A 37 76.018 12.098 9.982 1.00 1.00 C ATOM 566 O GLN A 37 75.467 11.016 10.004 1.00 1.00 O ATOM 567 CB GLN A 37 76.687 13.961 8.426 1.00 1.00 C ATOM 568 CG GLN A 37 76.447 15.471 8.475 1.00 1.00 C ATOM 569 CD GLN A 37 77.536 16.188 7.675 1.00 1.00 C ATOM 570 OE1 GLN A 37 78.304 15.560 6.974 1.00 1.00 O ATOM 571 NE2 GLN A 37 77.636 17.487 7.750 1.00 1.00 N ATOM 0 H GLN A 37 74.946 15.178 9.764 1.00 1.00 H new ATOM 0 HA GLN A 37 74.867 12.813 8.307 1.00 1.00 H new ATOM 0 HB2 GLN A 37 77.614 13.712 8.942 1.00 1.00 H new ATOM 0 HB3 GLN A 37 76.799 13.633 7.393 1.00 1.00 H new ATOM 0 HG2 GLN A 37 75.465 15.707 8.065 1.00 1.00 H new ATOM 0 HG3 GLN A 37 76.453 15.817 9.508 1.00 1.00 H new ATOM 0 HE21 GLN A 37 76.991 18.015 8.338 1.00 1.00 H new ATOM 0 HE22 GLN A 37 78.359 17.974 7.220 1.00 1.00 H new ATOM 580 N CYS A 38 77.069 12.340 10.719 1.00 1.00 N ATOM 581 CA CYS A 38 77.620 11.280 11.612 1.00 1.00 C ATOM 582 C CYS A 38 78.952 11.753 12.198 1.00 1.00 C ATOM 583 O CYS A 38 79.165 11.714 13.394 1.00 1.00 O ATOM 584 CB CYS A 38 77.842 9.997 10.807 1.00 1.00 C ATOM 585 SG CYS A 38 78.311 10.423 9.112 1.00 1.00 S ATOM 0 H CYS A 38 77.571 13.228 10.741 1.00 1.00 H new ATOM 0 HA CYS A 38 76.916 11.082 12.420 1.00 1.00 H new ATOM 0 HB2 CYS A 38 78.622 9.394 11.271 1.00 1.00 H new ATOM 0 HB3 CYS A 38 76.933 9.395 10.804 1.00 1.00 H new ATOM 590 N LYS A 39 79.852 12.200 11.364 1.00 1.00 N ATOM 591 CA LYS A 39 81.170 12.674 11.873 1.00 1.00 C ATOM 592 C LYS A 39 81.781 11.599 12.774 1.00 1.00 C ATOM 593 O LYS A 39 81.631 11.626 13.980 1.00 1.00 O ATOM 594 CB LYS A 39 80.974 13.966 12.672 1.00 1.00 C ATOM 595 CG LYS A 39 82.337 14.537 13.068 1.00 1.00 C ATOM 596 CD LYS A 39 83.046 15.078 11.825 1.00 1.00 C ATOM 597 CE LYS A 39 84.296 14.242 11.545 1.00 1.00 C ATOM 598 NZ LYS A 39 84.848 14.606 10.210 1.00 1.00 N ATOM 0 H LYS A 39 79.731 12.257 10.353 1.00 1.00 H new ATOM 0 HA LYS A 39 81.839 12.867 11.034 1.00 1.00 H new ATOM 0 HB2 LYS A 39 80.423 14.694 12.076 1.00 1.00 H new ATOM 0 HB3 LYS A 39 80.379 13.767 13.563 1.00 1.00 H new ATOM 0 HG2 LYS A 39 82.210 15.333 13.802 1.00 1.00 H new ATOM 0 HG3 LYS A 39 82.944 13.763 13.538 1.00 1.00 H new ATOM 0 HD2 LYS A 39 82.374 15.045 10.967 1.00 1.00 H new ATOM 0 HD3 LYS A 39 83.320 16.122 11.975 1.00 1.00 H new ATOM 0 HE2 LYS A 39 85.044 14.416 12.319 1.00 1.00 H new ATOM 0 HE3 LYS A 39 84.050 13.180 11.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 85.698 14.038 10.019 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 84.135 14.419 9.477 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 85.097 15.616 10.201 1.00 1.00 H new ATOM 612 N SER A 40 82.469 10.650 12.198 1.00 1.00 N ATOM 613 CA SER A 40 83.089 9.571 13.020 1.00 1.00 C ATOM 614 C SER A 40 84.355 9.067 12.324 1.00 1.00 C ATOM 615 O SER A 40 85.077 9.825 11.708 1.00 1.00 O ATOM 616 CB SER A 40 82.098 8.416 13.174 1.00 1.00 C ATOM 617 OG SER A 40 82.617 7.472 14.101 1.00 1.00 O ATOM 0 H SER A 40 82.628 10.575 11.193 1.00 1.00 H new ATOM 0 HA SER A 40 83.346 9.963 14.004 1.00 1.00 H new ATOM 0 HB2 SER A 40 81.135 8.792 13.520 1.00 1.00 H new ATOM 0 HB3 SER A 40 81.926 7.939 12.209 1.00 1.00 H new ATOM 0 HG SER A 40 81.983 6.731 14.203 1.00 1.00 H new ATOM 623 N LYS A 41 84.629 7.793 12.419 1.00 1.00 N ATOM 624 CA LYS A 41 85.849 7.236 11.763 1.00 1.00 C ATOM 625 C LYS A 41 85.506 5.885 11.116 1.00 1.00 C ATOM 626 O LYS A 41 85.047 4.979 11.783 1.00 1.00 O ATOM 627 CB LYS A 41 86.942 7.030 12.818 1.00 1.00 C ATOM 628 CG LYS A 41 86.315 6.510 14.113 1.00 1.00 C ATOM 629 CD LYS A 41 86.011 7.688 15.042 1.00 1.00 C ATOM 630 CE LYS A 41 87.256 8.026 15.864 1.00 1.00 C ATOM 631 NZ LYS A 41 87.602 6.871 16.739 1.00 1.00 N ATOM 0 H LYS A 41 84.060 7.113 12.923 1.00 1.00 H new ATOM 0 HA LYS A 41 86.203 7.928 10.999 1.00 1.00 H new ATOM 0 HB2 LYS A 41 87.685 6.322 12.452 1.00 1.00 H new ATOM 0 HB3 LYS A 41 87.462 7.969 13.006 1.00 1.00 H new ATOM 0 HG2 LYS A 41 85.399 5.962 13.892 1.00 1.00 H new ATOM 0 HG3 LYS A 41 86.994 5.812 14.603 1.00 1.00 H new ATOM 0 HD2 LYS A 41 85.702 8.555 14.458 1.00 1.00 H new ATOM 0 HD3 LYS A 41 85.182 7.438 15.704 1.00 1.00 H new ATOM 0 HE2 LYS A 41 88.090 8.257 15.202 1.00 1.00 H new ATOM 0 HE3 LYS A 41 87.075 8.914 16.470 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 88.015 7.220 17.627 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 86.742 6.324 16.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 88.290 6.261 16.253 1.00 1.00 H new ATOM 645 N PRO A 42 85.724 5.743 9.828 1.00 1.00 N ATOM 646 CA PRO A 42 85.427 4.472 9.106 1.00 1.00 C ATOM 647 C PRO A 42 86.493 3.400 9.364 1.00 1.00 C ATOM 648 O PRO A 42 87.589 3.699 9.797 1.00 1.00 O ATOM 649 CB PRO A 42 85.427 4.890 7.633 1.00 1.00 C ATOM 650 CG PRO A 42 86.347 6.065 7.566 1.00 1.00 C ATOM 651 CD PRO A 42 86.272 6.768 8.925 1.00 1.00 C ATOM 0 HA PRO A 42 84.488 4.024 9.431 1.00 1.00 H new ATOM 0 HB2 PRO A 42 85.774 4.079 6.992 1.00 1.00 H new ATOM 0 HB3 PRO A 42 84.424 5.154 7.297 1.00 1.00 H new ATOM 0 HG2 PRO A 42 87.367 5.745 7.353 1.00 1.00 H new ATOM 0 HG3 PRO A 42 86.051 6.742 6.764 1.00 1.00 H new ATOM 0 HD2 PRO A 42 87.255 7.105 9.254 1.00 1.00 H new ATOM 0 HD3 PRO A 42 85.630 7.648 8.884 1.00 1.00 H new ATOM 659 N PRO A 43 86.173 2.161 9.097 1.00 1.00 N ATOM 660 CA PRO A 43 87.119 1.024 9.300 1.00 1.00 C ATOM 661 C PRO A 43 88.428 1.224 8.528 1.00 1.00 C ATOM 662 O PRO A 43 88.443 1.761 7.439 1.00 1.00 O ATOM 663 CB PRO A 43 86.356 -0.205 8.774 1.00 1.00 C ATOM 664 CG PRO A 43 85.205 0.331 7.986 1.00 1.00 C ATOM 665 CD PRO A 43 84.880 1.706 8.567 1.00 1.00 C ATOM 0 HA PRO A 43 87.412 0.924 10.345 1.00 1.00 H new ATOM 0 HB2 PRO A 43 86.999 -0.827 8.151 1.00 1.00 H new ATOM 0 HB3 PRO A 43 86.008 -0.830 9.597 1.00 1.00 H new ATOM 0 HG2 PRO A 43 85.461 0.408 6.929 1.00 1.00 H new ATOM 0 HG3 PRO A 43 84.344 -0.333 8.058 1.00 1.00 H new ATOM 0 HD2 PRO A 43 84.496 2.384 7.805 1.00 1.00 H new ATOM 0 HD3 PRO A 43 84.124 1.644 9.349 1.00 1.00 H new ATOM 673 N LYS A 44 89.526 0.798 9.089 1.00 1.00 N ATOM 674 CA LYS A 44 90.834 0.965 8.395 1.00 1.00 C ATOM 675 C LYS A 44 90.741 0.405 6.974 1.00 1.00 C ATOM 676 O LYS A 44 90.972 -0.764 6.744 1.00 1.00 O ATOM 677 CB LYS A 44 91.920 0.214 9.169 1.00 1.00 C ATOM 678 CG LYS A 44 92.337 1.035 10.391 1.00 1.00 C ATOM 679 CD LYS A 44 93.437 0.294 11.154 1.00 1.00 C ATOM 680 CE LYS A 44 94.247 1.293 11.981 1.00 1.00 C ATOM 681 NZ LYS A 44 95.114 2.099 11.077 1.00 1.00 N ATOM 0 H LYS A 44 89.574 0.341 10.000 1.00 1.00 H new ATOM 0 HA LYS A 44 91.085 2.025 8.348 1.00 1.00 H new ATOM 0 HB2 LYS A 44 91.549 -0.762 9.483 1.00 1.00 H new ATOM 0 HB3 LYS A 44 92.782 0.036 8.526 1.00 1.00 H new ATOM 0 HG2 LYS A 44 92.695 2.016 10.078 1.00 1.00 H new ATOM 0 HG3 LYS A 44 91.478 1.201 11.041 1.00 1.00 H new ATOM 0 HD2 LYS A 44 92.997 -0.461 11.805 1.00 1.00 H new ATOM 0 HD3 LYS A 44 94.090 -0.229 10.455 1.00 1.00 H new ATOM 0 HE2 LYS A 44 93.577 1.947 12.539 1.00 1.00 H new ATOM 0 HE3 LYS A 44 94.858 0.765 12.713 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 95.935 2.453 11.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 95.441 1.505 10.289 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 94.572 2.903 10.702 1.00 1.00 H new ATOM 695 N LYS A 45 90.410 1.237 6.021 1.00 1.00 N ATOM 696 CA LYS A 45 90.305 0.767 4.608 1.00 1.00 C ATOM 697 C LYS A 45 89.338 -0.417 4.520 1.00 1.00 C ATOM 698 O LYS A 45 89.542 -1.448 5.130 1.00 1.00 O ATOM 699 CB LYS A 45 91.687 0.338 4.106 1.00 1.00 C ATOM 700 CG LYS A 45 92.584 1.569 3.964 1.00 1.00 C ATOM 701 CD LYS A 45 94.050 1.132 3.929 1.00 1.00 C ATOM 702 CE LYS A 45 94.285 0.231 2.715 1.00 1.00 C ATOM 703 NZ LYS A 45 93.767 -1.137 3.004 1.00 1.00 N ATOM 0 H LYS A 45 90.207 2.227 6.162 1.00 1.00 H new ATOM 0 HA LYS A 45 89.929 1.581 3.989 1.00 1.00 H new ATOM 0 HB2 LYS A 45 92.134 -0.372 4.802 1.00 1.00 H new ATOM 0 HB3 LYS A 45 91.595 -0.171 3.146 1.00 1.00 H new ATOM 0 HG2 LYS A 45 92.333 2.111 3.052 1.00 1.00 H new ATOM 0 HG3 LYS A 45 92.417 2.252 4.797 1.00 1.00 H new ATOM 0 HD2 LYS A 45 94.700 2.006 3.878 1.00 1.00 H new ATOM 0 HD3 LYS A 45 94.304 0.599 4.845 1.00 1.00 H new ATOM 0 HE2 LYS A 45 93.784 0.644 1.840 1.00 1.00 H new ATOM 0 HE3 LYS A 45 95.349 0.187 2.482 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 94.440 -1.845 2.649 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 93.650 -1.254 4.031 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 92.848 -1.267 2.534 1.00 1.00 H new ATOM 717 N GLY A 46 88.288 -0.280 3.759 1.00 1.00 N ATOM 718 CA GLY A 46 87.311 -1.398 3.628 1.00 1.00 C ATOM 719 C GLY A 46 87.919 -2.512 2.775 1.00 1.00 C ATOM 720 O GLY A 46 87.217 -3.275 2.142 1.00 1.00 O ATOM 0 H GLY A 46 88.064 0.558 3.222 1.00 1.00 H new ATOM 0 HA2 GLY A 46 87.049 -1.783 4.614 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.389 -1.038 3.171 1.00 1.00 H new ATOM 724 N VAL A 47 89.221 -2.615 2.752 1.00 1.00 N ATOM 725 CA VAL A 47 89.870 -3.681 1.939 1.00 1.00 C ATOM 726 C VAL A 47 89.360 -3.603 0.499 1.00 1.00 C ATOM 727 O VAL A 47 89.183 -4.606 -0.164 1.00 1.00 O ATOM 728 CB VAL A 47 89.528 -5.050 2.532 1.00 1.00 C ATOM 729 CG1 VAL A 47 90.553 -6.083 2.059 1.00 1.00 C ATOM 730 CG2 VAL A 47 89.560 -4.965 4.059 1.00 1.00 C ATOM 0 H VAL A 47 89.862 -2.007 3.261 1.00 1.00 H new ATOM 0 HA VAL A 47 90.951 -3.542 1.948 1.00 1.00 H new ATOM 0 HB VAL A 47 88.533 -5.349 2.204 1.00 1.00 H new ATOM 0 HG11 VAL A 47 90.309 -7.058 2.482 1.00 1.00 H new ATOM 0 HG12 VAL A 47 90.533 -6.144 0.971 1.00 1.00 H new ATOM 0 HG13 VAL A 47 91.549 -5.784 2.387 1.00 1.00 H new ATOM 0 HG21 VAL A 47 89.317 -5.939 4.483 1.00 1.00 H new ATOM 0 HG22 VAL A 47 90.556 -4.666 4.386 1.00 1.00 H new ATOM 0 HG23 VAL A 47 88.830 -4.229 4.398 1.00 1.00 H new ATOM 740 N GLN A 48 89.120 -2.417 0.013 1.00 1.00 N ATOM 741 CA GLN A 48 88.620 -2.268 -1.383 1.00 1.00 C ATOM 742 C GLN A 48 89.016 -0.892 -1.922 1.00 1.00 C ATOM 743 O GLN A 48 89.543 -0.770 -3.010 1.00 1.00 O ATOM 744 CB GLN A 48 87.095 -2.402 -1.394 1.00 1.00 C ATOM 745 CG GLN A 48 86.478 -1.300 -0.531 1.00 1.00 C ATOM 746 CD GLN A 48 85.056 -1.700 -0.131 1.00 1.00 C ATOM 747 OE1 GLN A 48 84.135 -0.918 -0.253 1.00 1.00 O ATOM 748 NE2 GLN A 48 84.838 -2.895 0.346 1.00 1.00 N ATOM 0 H GLN A 48 89.249 -1.543 0.523 1.00 1.00 H new ATOM 0 HA GLN A 48 89.058 -3.043 -2.012 1.00 1.00 H new ATOM 0 HB2 GLN A 48 86.721 -2.331 -2.415 1.00 1.00 H new ATOM 0 HB3 GLN A 48 86.803 -3.381 -1.015 1.00 1.00 H new ATOM 0 HG2 GLN A 48 87.085 -1.138 0.359 1.00 1.00 H new ATOM 0 HG3 GLN A 48 86.461 -0.359 -1.081 1.00 1.00 H new ATOM 0 HE21 GLN A 48 85.611 -3.552 0.449 1.00 1.00 H new ATOM 0 HE22 GLN A 48 83.894 -3.172 0.616 1.00 1.00 H new ATOM 757 N GLY A 49 88.765 0.145 -1.167 1.00 1.00 N ATOM 758 CA GLY A 49 89.123 1.520 -1.628 1.00 1.00 C ATOM 759 C GLY A 49 87.899 2.429 -1.505 1.00 1.00 C ATOM 760 O GLY A 49 86.981 2.359 -2.297 1.00 1.00 O ATOM 0 H GLY A 49 88.326 0.099 -0.248 1.00 1.00 H new ATOM 0 HA2 GLY A 49 89.945 1.914 -1.030 1.00 1.00 H new ATOM 0 HA3 GLY A 49 89.467 1.491 -2.662 1.00 1.00 H new ATOM 764 N CYS A 50 87.877 3.281 -0.517 1.00 1.00 N ATOM 765 CA CYS A 50 86.710 4.191 -0.344 1.00 1.00 C ATOM 766 C CYS A 50 86.880 5.417 -1.244 1.00 1.00 C ATOM 767 O CYS A 50 87.050 6.524 -0.775 1.00 1.00 O ATOM 768 CB CYS A 50 86.624 4.639 1.116 1.00 1.00 C ATOM 769 SG CYS A 50 86.195 3.222 2.157 1.00 1.00 S ATOM 0 H CYS A 50 88.616 3.386 0.178 1.00 1.00 H new ATOM 0 HA CYS A 50 85.796 3.664 -0.617 1.00 1.00 H new ATOM 0 HB2 CYS A 50 87.577 5.063 1.434 1.00 1.00 H new ATOM 0 HB3 CYS A 50 85.875 5.423 1.224 1.00 1.00 H new ATOM 774 N GLY A 51 86.833 5.229 -2.535 1.00 1.00 N ATOM 775 CA GLY A 51 86.990 6.386 -3.462 1.00 1.00 C ATOM 776 C GLY A 51 87.496 5.896 -4.819 1.00 1.00 C ATOM 777 O GLY A 51 88.640 6.100 -5.176 1.00 1.00 O ATOM 0 H GLY A 51 86.693 4.326 -2.987 1.00 1.00 H new ATOM 0 HA2 GLY A 51 86.036 6.899 -3.583 1.00 1.00 H new ATOM 0 HA3 GLY A 51 87.690 7.108 -3.042 1.00 1.00 H new ATOM 781 N ASP A 52 86.654 5.254 -5.582 1.00 1.00 N ATOM 782 CA ASP A 52 87.090 4.757 -6.917 1.00 1.00 C ATOM 783 C ASP A 52 87.125 5.925 -7.904 1.00 1.00 C ATOM 784 O ASP A 52 88.157 6.258 -8.451 1.00 1.00 O ATOM 785 CB ASP A 52 86.106 3.697 -7.416 1.00 1.00 C ATOM 786 CG ASP A 52 86.491 3.270 -8.834 1.00 1.00 C ATOM 787 OD1 ASP A 52 87.460 2.541 -8.969 1.00 1.00 O ATOM 788 OD2 ASP A 52 85.810 3.678 -9.760 1.00 1.00 O ATOM 0 H ASP A 52 85.684 5.053 -5.339 1.00 1.00 H new ATOM 0 HA ASP A 52 88.084 4.317 -6.835 1.00 1.00 H new ATOM 0 HB2 ASP A 52 86.116 2.834 -6.750 1.00 1.00 H new ATOM 0 HB3 ASP A 52 85.091 4.095 -7.408 1.00 1.00 H new ATOM 793 N ASP A 53 86.003 6.552 -8.134 1.00 1.00 N ATOM 794 CA ASP A 53 85.971 7.701 -9.083 1.00 1.00 C ATOM 795 C ASP A 53 86.349 8.983 -8.338 1.00 1.00 C ATOM 796 O ASP A 53 87.440 9.499 -8.487 1.00 1.00 O ATOM 797 CB ASP A 53 84.562 7.843 -9.663 1.00 1.00 C ATOM 798 CG ASP A 53 84.237 6.620 -10.522 1.00 1.00 C ATOM 799 OD1 ASP A 53 85.154 5.874 -10.827 1.00 1.00 O ATOM 800 OD2 ASP A 53 83.078 6.449 -10.861 1.00 1.00 O ATOM 0 H ASP A 53 85.107 6.318 -7.706 1.00 1.00 H new ATOM 0 HA ASP A 53 86.680 7.527 -9.892 1.00 1.00 H new ATOM 0 HB2 ASP A 53 83.834 7.939 -8.858 1.00 1.00 H new ATOM 0 HB3 ASP A 53 84.494 8.750 -10.263 1.00 1.00 H new ATOM 805 N ILE A 54 85.456 9.500 -7.534 1.00 1.00 N ATOM 806 CA ILE A 54 85.755 10.749 -6.772 1.00 1.00 C ATOM 807 C ILE A 54 85.800 10.428 -5.271 1.00 1.00 C ATOM 808 O ILE A 54 84.801 10.054 -4.690 1.00 1.00 O ATOM 809 CB ILE A 54 84.650 11.779 -7.030 1.00 1.00 C ATOM 810 CG1 ILE A 54 84.597 12.105 -8.524 1.00 1.00 C ATOM 811 CG2 ILE A 54 84.947 13.056 -6.241 1.00 1.00 C ATOM 812 CD1 ILE A 54 83.561 11.209 -9.206 1.00 1.00 C ATOM 0 H ILE A 54 84.528 9.109 -7.372 1.00 1.00 H new ATOM 0 HA ILE A 54 86.716 11.151 -7.094 1.00 1.00 H new ATOM 0 HB ILE A 54 83.691 11.370 -6.712 1.00 1.00 H new ATOM 0 HG12 ILE A 54 84.338 13.154 -8.669 1.00 1.00 H new ATOM 0 HG13 ILE A 54 85.578 11.953 -8.975 1.00 1.00 H new ATOM 0 HG21 ILE A 54 84.161 13.788 -6.425 1.00 1.00 H new ATOM 0 HG22 ILE A 54 84.986 12.825 -5.176 1.00 1.00 H new ATOM 0 HG23 ILE A 54 85.906 13.465 -6.559 1.00 1.00 H new ATOM 0 HD11 ILE A 54 83.523 11.441 -10.270 1.00 1.00 H new ATOM 0 HD12 ILE A 54 83.840 10.164 -9.072 1.00 1.00 H new ATOM 0 HD13 ILE A 54 82.581 11.383 -8.762 1.00 1.00 H new ATOM 824 N PRO A 55 86.943 10.570 -4.640 1.00 1.00 N ATOM 825 CA PRO A 55 87.089 10.283 -3.184 1.00 1.00 C ATOM 826 C PRO A 55 86.557 11.427 -2.313 1.00 1.00 C ATOM 827 O PRO A 55 87.175 12.465 -2.190 1.00 1.00 O ATOM 828 CB PRO A 55 88.599 10.124 -3.003 1.00 1.00 C ATOM 829 CG PRO A 55 89.206 10.980 -4.067 1.00 1.00 C ATOM 830 CD PRO A 55 88.214 11.014 -5.236 1.00 1.00 C ATOM 0 HA PRO A 55 86.519 9.406 -2.879 1.00 1.00 H new ATOM 0 HB2 PRO A 55 88.914 10.445 -2.010 1.00 1.00 H new ATOM 0 HB3 PRO A 55 88.903 9.083 -3.112 1.00 1.00 H new ATOM 0 HG2 PRO A 55 89.394 11.986 -3.692 1.00 1.00 H new ATOM 0 HG3 PRO A 55 90.166 10.574 -4.387 1.00 1.00 H new ATOM 0 HD2 PRO A 55 88.128 12.016 -5.657 1.00 1.00 H new ATOM 0 HD3 PRO A 55 88.528 10.354 -6.045 1.00 1.00 H new ATOM 838 N GLY A 56 85.415 11.243 -1.708 1.00 1.00 N ATOM 839 CA GLY A 56 84.847 12.319 -0.847 1.00 1.00 C ATOM 840 C GLY A 56 83.503 11.862 -0.279 1.00 1.00 C ATOM 841 O GLY A 56 83.437 10.973 0.547 1.00 1.00 O ATOM 0 H GLY A 56 84.852 10.395 -1.773 1.00 1.00 H new ATOM 0 HA2 GLY A 56 85.536 12.552 -0.035 1.00 1.00 H new ATOM 0 HA3 GLY A 56 84.717 13.233 -1.427 1.00 1.00 H new ATOM 845 N MET A 57 82.429 12.464 -0.713 1.00 1.00 N ATOM 846 CA MET A 57 81.089 12.064 -0.198 1.00 1.00 C ATOM 847 C MET A 57 80.018 12.430 -1.228 1.00 1.00 C ATOM 848 O MET A 57 78.891 12.731 -0.887 1.00 1.00 O ATOM 849 CB MET A 57 80.804 12.801 1.115 1.00 1.00 C ATOM 850 CG MET A 57 81.726 12.266 2.213 1.00 1.00 C ATOM 851 SD MET A 57 81.108 12.794 3.830 1.00 1.00 S ATOM 852 CE MET A 57 82.483 12.154 4.818 1.00 1.00 C ATOM 0 H MET A 57 82.422 13.216 -1.402 1.00 1.00 H new ATOM 0 HA MET A 57 81.074 10.988 -0.022 1.00 1.00 H new ATOM 0 HB2 MET A 57 80.960 13.872 0.984 1.00 1.00 H new ATOM 0 HB3 MET A 57 79.762 12.664 1.402 1.00 1.00 H new ATOM 0 HG2 MET A 57 81.771 11.178 2.167 1.00 1.00 H new ATOM 0 HG3 MET A 57 82.741 12.634 2.062 1.00 1.00 H new ATOM 0 HE1 MET A 57 82.307 12.373 5.871 1.00 1.00 H new ATOM 0 HE2 MET A 57 82.559 11.076 4.680 1.00 1.00 H new ATOM 0 HE3 MET A 57 83.412 12.627 4.499 1.00 1.00 H new ATOM 862 N GLU A 58 80.360 12.405 -2.488 1.00 1.00 N ATOM 863 CA GLU A 58 79.361 12.750 -3.539 1.00 1.00 C ATOM 864 C GLU A 58 79.762 12.090 -4.860 1.00 1.00 C ATOM 865 O GLU A 58 80.738 11.370 -4.934 1.00 1.00 O ATOM 866 CB GLU A 58 79.304 14.273 -3.714 1.00 1.00 C ATOM 867 CG GLU A 58 80.565 14.756 -4.433 1.00 1.00 C ATOM 868 CD GLU A 58 81.801 14.179 -3.740 1.00 1.00 C ATOM 869 OE1 GLU A 58 82.187 14.717 -2.715 1.00 1.00 O ATOM 870 OE2 GLU A 58 82.341 13.209 -4.246 1.00 1.00 O ATOM 0 H GLU A 58 81.288 12.161 -2.834 1.00 1.00 H new ATOM 0 HA GLU A 58 78.378 12.387 -3.240 1.00 1.00 H new ATOM 0 HB2 GLU A 58 78.419 14.550 -4.286 1.00 1.00 H new ATOM 0 HB3 GLU A 58 79.220 14.758 -2.741 1.00 1.00 H new ATOM 0 HG2 GLU A 58 80.542 14.445 -5.477 1.00 1.00 H new ATOM 0 HG3 GLU A 58 80.606 15.845 -4.425 1.00 1.00 H new ATOM 877 N GLY A 59 79.016 12.328 -5.904 1.00 1.00 N ATOM 878 CA GLY A 59 79.354 11.713 -7.219 1.00 1.00 C ATOM 879 C GLY A 59 78.802 10.287 -7.273 1.00 1.00 C ATOM 880 O GLY A 59 77.626 10.060 -7.075 1.00 1.00 O ATOM 0 H GLY A 59 78.187 12.922 -5.903 1.00 1.00 H new ATOM 0 HA2 GLY A 59 78.933 12.308 -8.030 1.00 1.00 H new ATOM 0 HA3 GLY A 59 80.435 11.701 -7.360 1.00 1.00 H new ATOM 884 N CYS A 60 79.643 9.325 -7.540 1.00 1.00 N ATOM 885 CA CYS A 60 79.169 7.913 -7.607 1.00 1.00 C ATOM 886 C CYS A 60 78.126 7.777 -8.719 1.00 1.00 C ATOM 887 O CYS A 60 77.329 8.665 -8.949 1.00 1.00 O ATOM 888 CB CYS A 60 78.544 7.519 -6.267 1.00 1.00 C ATOM 889 SG CYS A 60 79.522 8.222 -4.916 1.00 1.00 S ATOM 0 H CYS A 60 80.639 9.456 -7.715 1.00 1.00 H new ATOM 0 HA CYS A 60 80.013 7.256 -7.819 1.00 1.00 H new ATOM 0 HB2 CYS A 60 77.517 7.880 -6.213 1.00 1.00 H new ATOM 0 HB3 CYS A 60 78.506 6.433 -6.176 1.00 1.00 H new ATOM 894 N GLY A 61 78.125 6.670 -9.411 1.00 1.00 N ATOM 895 CA GLY A 61 77.135 6.474 -10.508 1.00 1.00 C ATOM 896 C GLY A 61 77.048 4.988 -10.855 1.00 1.00 C ATOM 897 O GLY A 61 75.976 4.432 -10.985 1.00 1.00 O ATOM 0 H GLY A 61 78.768 5.892 -9.264 1.00 1.00 H new ATOM 0 HA2 GLY A 61 76.157 6.845 -10.201 1.00 1.00 H new ATOM 0 HA3 GLY A 61 77.431 7.047 -11.387 1.00 1.00 H new ATOM 901 N THR A 62 78.171 4.339 -11.004 1.00 1.00 N ATOM 902 CA THR A 62 78.157 2.889 -11.340 1.00 1.00 C ATOM 903 C THR A 62 77.178 2.163 -10.419 1.00 1.00 C ATOM 904 O THR A 62 77.303 2.198 -9.211 1.00 1.00 O ATOM 905 CB THR A 62 79.561 2.309 -11.152 1.00 1.00 C ATOM 906 OG1 THR A 62 79.928 2.397 -9.783 1.00 1.00 O ATOM 907 CG2 THR A 62 80.559 3.097 -12.002 1.00 1.00 C ATOM 0 H THR A 62 79.098 4.752 -10.907 1.00 1.00 H new ATOM 0 HA THR A 62 77.846 2.758 -12.376 1.00 1.00 H new ATOM 0 HB THR A 62 79.568 1.265 -11.464 1.00 1.00 H new ATOM 0 HG1 THR A 62 80.826 2.024 -9.660 1.00 1.00 H new ATOM 0 HG21 THR A 62 81.558 2.683 -11.867 1.00 1.00 H new ATOM 0 HG22 THR A 62 80.276 3.028 -13.052 1.00 1.00 H new ATOM 0 HG23 THR A 62 80.555 4.142 -11.693 1.00 1.00 H new ATOM 915 N ASP A 63 76.204 1.508 -10.981 1.00 1.00 N ATOM 916 CA ASP A 63 75.213 0.778 -10.140 1.00 1.00 C ATOM 917 C ASP A 63 75.953 -0.093 -9.123 1.00 1.00 C ATOM 918 O ASP A 63 75.372 -0.594 -8.181 1.00 1.00 O ATOM 919 CB ASP A 63 74.342 -0.109 -11.033 1.00 1.00 C ATOM 920 CG ASP A 63 75.225 -1.123 -11.763 1.00 1.00 C ATOM 921 OD1 ASP A 63 75.919 -0.722 -12.682 1.00 1.00 O ATOM 922 OD2 ASP A 63 75.192 -2.284 -11.390 1.00 1.00 O ATOM 0 H ASP A 63 76.049 1.445 -11.987 1.00 1.00 H new ATOM 0 HA ASP A 63 74.582 1.495 -9.615 1.00 1.00 H new ATOM 0 HB2 ASP A 63 73.596 -0.628 -10.431 1.00 1.00 H new ATOM 0 HB3 ASP A 63 73.801 0.503 -11.754 1.00 1.00 H new ATOM 927 N ILE A 64 77.233 -0.276 -9.305 1.00 1.00 N ATOM 928 CA ILE A 64 78.012 -1.114 -8.349 1.00 1.00 C ATOM 929 C ILE A 64 78.560 -0.234 -7.226 1.00 1.00 C ATOM 930 O ILE A 64 78.857 -0.707 -6.147 1.00 1.00 O ATOM 931 CB ILE A 64 79.181 -1.775 -9.082 1.00 1.00 C ATOM 932 CG1 ILE A 64 78.655 -2.919 -9.951 1.00 1.00 C ATOM 933 CG2 ILE A 64 80.177 -2.329 -8.061 1.00 1.00 C ATOM 934 CD1 ILE A 64 79.762 -3.396 -10.893 1.00 1.00 C ATOM 0 H ILE A 64 77.773 0.119 -10.075 1.00 1.00 H new ATOM 0 HA ILE A 64 77.360 -1.881 -7.930 1.00 1.00 H new ATOM 0 HB ILE A 64 79.678 -1.037 -9.712 1.00 1.00 H new ATOM 0 HG12 ILE A 64 78.319 -3.743 -9.321 1.00 1.00 H new ATOM 0 HG13 ILE A 64 77.792 -2.585 -10.527 1.00 1.00 H new ATOM 0 HG21 ILE A 64 81.010 -2.800 -8.584 1.00 1.00 H new ATOM 0 HG22 ILE A 64 80.552 -1.515 -7.440 1.00 1.00 H new ATOM 0 HG23 ILE A 64 79.680 -3.067 -7.431 1.00 1.00 H new ATOM 0 HD11 ILE A 64 79.387 -4.211 -11.512 1.00 1.00 H new ATOM 0 HD12 ILE A 64 80.077 -2.571 -11.532 1.00 1.00 H new ATOM 0 HD13 ILE A 64 80.612 -3.747 -10.308 1.00 1.00 H new ATOM 946 N THR A 65 78.710 1.039 -7.473 1.00 1.00 N ATOM 947 CA THR A 65 79.254 1.941 -6.419 1.00 1.00 C ATOM 948 C THR A 65 80.427 1.246 -5.742 1.00 1.00 C ATOM 949 O THR A 65 80.597 1.301 -4.541 1.00 1.00 O ATOM 950 CB THR A 65 78.164 2.241 -5.396 1.00 1.00 C ATOM 951 OG1 THR A 65 78.045 1.146 -4.499 1.00 1.00 O ATOM 952 CG2 THR A 65 76.832 2.462 -6.116 1.00 1.00 C ATOM 0 H THR A 65 78.480 1.492 -8.357 1.00 1.00 H new ATOM 0 HA THR A 65 79.589 2.879 -6.862 1.00 1.00 H new ATOM 0 HB THR A 65 78.426 3.141 -4.839 1.00 1.00 H new ATOM 0 HG1 THR A 65 77.501 1.412 -3.728 1.00 1.00 H new ATOM 0 HG21 THR A 65 76.054 2.676 -5.384 1.00 1.00 H new ATOM 0 HG22 THR A 65 76.925 3.303 -6.803 1.00 1.00 H new ATOM 0 HG23 THR A 65 76.567 1.564 -6.675 1.00 1.00 H new ATOM 960 N VAL A 66 81.222 0.580 -6.525 1.00 1.00 N ATOM 961 CA VAL A 66 82.400 -0.157 -5.985 1.00 1.00 C ATOM 962 C VAL A 66 81.929 -1.462 -5.341 1.00 1.00 C ATOM 963 O VAL A 66 82.295 -2.539 -5.768 1.00 1.00 O ATOM 964 CB VAL A 66 83.138 0.698 -4.944 1.00 1.00 C ATOM 965 CG1 VAL A 66 84.551 0.148 -4.740 1.00 1.00 C ATOM 966 CG2 VAL A 66 83.222 2.143 -5.440 1.00 1.00 C ATOM 0 H VAL A 66 81.106 0.512 -7.536 1.00 1.00 H new ATOM 0 HA VAL A 66 83.086 -0.377 -6.803 1.00 1.00 H new ATOM 0 HB VAL A 66 82.596 0.667 -3.999 1.00 1.00 H new ATOM 0 HG11 VAL A 66 85.075 0.755 -4.001 1.00 1.00 H new ATOM 0 HG12 VAL A 66 84.493 -0.882 -4.388 1.00 1.00 H new ATOM 0 HG13 VAL A 66 85.093 0.179 -5.685 1.00 1.00 H new ATOM 0 HG21 VAL A 66 83.745 2.751 -4.702 1.00 1.00 H new ATOM 0 HG22 VAL A 66 83.764 2.172 -6.385 1.00 1.00 H new ATOM 0 HG23 VAL A 66 82.216 2.536 -5.587 1.00 1.00 H new ATOM 976 N ILE A 67 81.117 -1.379 -4.319 1.00 1.00 N ATOM 977 CA ILE A 67 80.623 -2.622 -3.652 1.00 1.00 C ATOM 978 C ILE A 67 79.121 -2.506 -3.372 1.00 1.00 C ATOM 979 O ILE A 67 78.708 -1.872 -2.421 1.00 1.00 O ATOM 980 CB ILE A 67 81.367 -2.831 -2.328 1.00 1.00 C ATOM 981 CG1 ILE A 67 82.828 -3.183 -2.616 1.00 1.00 C ATOM 982 CG2 ILE A 67 80.713 -3.974 -1.549 1.00 1.00 C ATOM 983 CD1 ILE A 67 82.951 -4.686 -2.873 1.00 1.00 C ATOM 0 H ILE A 67 80.775 -0.506 -3.918 1.00 1.00 H new ATOM 0 HA ILE A 67 80.804 -3.470 -4.312 1.00 1.00 H new ATOM 0 HB ILE A 67 81.321 -1.916 -1.737 1.00 1.00 H new ATOM 0 HG12 ILE A 67 83.183 -2.625 -3.482 1.00 1.00 H new ATOM 0 HG13 ILE A 67 83.455 -2.895 -1.772 1.00 1.00 H new ATOM 0 HG21 ILE A 67 81.242 -4.122 -0.608 1.00 1.00 H new ATOM 0 HG22 ILE A 67 79.672 -3.726 -1.345 1.00 1.00 H new ATOM 0 HG23 ILE A 67 80.759 -4.889 -2.139 1.00 1.00 H new ATOM 0 HD11 ILE A 67 83.992 -4.936 -3.078 1.00 1.00 H new ATOM 0 HD12 ILE A 67 82.612 -5.234 -1.994 1.00 1.00 H new ATOM 0 HD13 ILE A 67 82.336 -4.960 -3.730 1.00 1.00 H new ATOM 995 N CYS A 68 78.304 -3.132 -4.178 1.00 1.00 N ATOM 996 CA CYS A 68 76.831 -3.082 -3.947 1.00 1.00 C ATOM 997 C CYS A 68 76.344 -4.479 -3.551 1.00 1.00 C ATOM 998 O CYS A 68 76.943 -5.473 -3.909 1.00 1.00 O ATOM 999 CB CYS A 68 76.126 -2.637 -5.232 1.00 1.00 C ATOM 1000 SG CYS A 68 76.314 -0.848 -5.435 1.00 1.00 S ATOM 0 H CYS A 68 78.595 -3.678 -4.989 1.00 1.00 H new ATOM 0 HA CYS A 68 76.605 -2.373 -3.151 1.00 1.00 H new ATOM 0 HB2 CYS A 68 76.550 -3.158 -6.091 1.00 1.00 H new ATOM 0 HB3 CYS A 68 75.069 -2.900 -5.189 1.00 1.00 H new ATOM 1005 N PRO A 69 75.270 -4.565 -2.809 1.00 1.00 N ATOM 1006 CA PRO A 69 74.712 -5.867 -2.359 1.00 1.00 C ATOM 1007 C PRO A 69 74.842 -6.962 -3.424 1.00 1.00 C ATOM 1008 O PRO A 69 75.185 -8.089 -3.128 1.00 1.00 O ATOM 1009 CB PRO A 69 73.245 -5.538 -2.092 1.00 1.00 C ATOM 1010 CG PRO A 69 73.243 -4.105 -1.667 1.00 1.00 C ATOM 1011 CD PRO A 69 74.462 -3.437 -2.318 1.00 1.00 C ATOM 0 HA PRO A 69 75.240 -6.265 -1.492 1.00 1.00 H new ATOM 0 HB2 PRO A 69 72.638 -5.686 -2.985 1.00 1.00 H new ATOM 0 HB3 PRO A 69 72.831 -6.181 -1.315 1.00 1.00 H new ATOM 0 HG2 PRO A 69 72.322 -3.612 -1.979 1.00 1.00 H new ATOM 0 HG3 PRO A 69 73.295 -4.026 -0.581 1.00 1.00 H new ATOM 0 HD2 PRO A 69 74.166 -2.775 -3.132 1.00 1.00 H new ATOM 0 HD3 PRO A 69 75.016 -2.832 -1.600 1.00 1.00 H new ATOM 1019 N TRP A 70 74.569 -6.640 -4.659 1.00 1.00 N ATOM 1020 CA TRP A 70 74.676 -7.666 -5.736 1.00 1.00 C ATOM 1021 C TRP A 70 76.140 -7.827 -6.159 1.00 1.00 C ATOM 1022 O TRP A 70 76.439 -8.033 -7.319 1.00 1.00 O ATOM 1023 CB TRP A 70 73.835 -7.230 -6.940 1.00 1.00 C ATOM 1024 CG TRP A 70 73.964 -5.753 -7.131 1.00 1.00 C ATOM 1025 CD1 TRP A 70 75.088 -5.118 -7.536 1.00 1.00 C ATOM 1026 CD2 TRP A 70 72.957 -4.718 -6.933 1.00 1.00 C ATOM 1027 NE1 TRP A 70 74.836 -3.760 -7.599 1.00 1.00 N ATOM 1028 CE2 TRP A 70 73.537 -3.462 -7.237 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.613 -4.745 -6.524 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 72.806 -2.276 -7.138 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.876 -3.556 -6.423 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.470 -2.324 -6.729 1.00 1.00 C ATOM 0 H TRP A 70 74.277 -5.713 -4.969 1.00 1.00 H new ATOM 0 HA TRP A 70 74.308 -8.621 -5.362 1.00 1.00 H new ATOM 0 HB2 TRP A 70 74.166 -7.753 -7.837 1.00 1.00 H new ATOM 0 HB3 TRP A 70 72.790 -7.497 -6.783 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.028 -5.594 -7.772 1.00 1.00 H new ATOM 0 HE1 TRP A 70 75.526 -3.063 -7.879 1.00 1.00 H new ATOM 0 HE3 TRP A 70 71.144 -5.688 -6.286 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 73.269 -1.330 -7.375 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.844 -3.590 -6.107 1.00 1.00 H new ATOM 0 HH2 TRP A 70 70.896 -1.413 -6.649 1.00 1.00 H new ATOM 1043 N GLU A 71 77.058 -7.742 -5.232 1.00 1.00 N ATOM 1044 CA GLU A 71 78.498 -7.897 -5.592 1.00 1.00 C ATOM 1045 C GLU A 71 79.249 -8.546 -4.424 1.00 1.00 C ATOM 1046 O GLU A 71 79.672 -9.683 -4.501 1.00 1.00 O ATOM 1047 CB GLU A 71 79.102 -6.516 -5.899 1.00 1.00 C ATOM 1048 CG GLU A 71 79.563 -6.472 -7.357 1.00 1.00 C ATOM 1049 CD GLU A 71 80.737 -7.435 -7.551 1.00 1.00 C ATOM 1050 OE1 GLU A 71 81.852 -7.047 -7.243 1.00 1.00 O ATOM 1051 OE2 GLU A 71 80.501 -8.542 -8.004 1.00 1.00 O ATOM 0 H GLU A 71 76.873 -7.572 -4.243 1.00 1.00 H new ATOM 0 HA GLU A 71 78.588 -8.531 -6.474 1.00 1.00 H new ATOM 0 HB2 GLU A 71 78.363 -5.736 -5.717 1.00 1.00 H new ATOM 0 HB3 GLU A 71 79.943 -6.320 -5.235 1.00 1.00 H new ATOM 0 HG2 GLU A 71 78.741 -6.746 -8.018 1.00 1.00 H new ATOM 0 HG3 GLU A 71 79.862 -5.459 -7.624 1.00 1.00 H new ATOM 1058 N ALA A 72 79.420 -7.832 -3.345 1.00 1.00 N ATOM 1059 CA ALA A 72 80.146 -8.407 -2.177 1.00 1.00 C ATOM 1060 C ALA A 72 79.299 -9.504 -1.532 1.00 1.00 C ATOM 1061 O ALA A 72 79.332 -10.650 -1.936 1.00 1.00 O ATOM 1062 CB ALA A 72 80.410 -7.303 -1.149 1.00 1.00 C ATOM 0 H ALA A 72 79.088 -6.875 -3.222 1.00 1.00 H new ATOM 0 HA ALA A 72 81.092 -8.831 -2.514 1.00 1.00 H new ATOM 0 HB1 ALA A 72 80.941 -7.721 -0.294 1.00 1.00 H new ATOM 0 HB2 ALA A 72 81.016 -6.519 -1.604 1.00 1.00 H new ATOM 0 HB3 ALA A 72 79.462 -6.881 -0.816 1.00 1.00 H new ATOM 1068 N CYS A 73 78.543 -9.160 -0.526 1.00 1.00 N ATOM 1069 CA CYS A 73 77.695 -10.177 0.155 1.00 1.00 C ATOM 1070 C CYS A 73 76.897 -10.960 -0.891 1.00 1.00 C ATOM 1071 O CYS A 73 77.378 -11.918 -1.463 1.00 1.00 O ATOM 1072 CB CYS A 73 76.733 -9.474 1.115 1.00 1.00 C ATOM 1073 SG CYS A 73 75.929 -8.095 0.262 1.00 1.00 S ATOM 0 H CYS A 73 78.476 -8.216 -0.146 1.00 1.00 H new ATOM 0 HA CYS A 73 78.328 -10.865 0.715 1.00 1.00 H new ATOM 0 HB2 CYS A 73 75.984 -10.178 1.476 1.00 1.00 H new ATOM 0 HB3 CYS A 73 77.275 -9.109 1.988 1.00 1.00 H new ATOM 1078 N ASN A 74 75.682 -10.557 -1.148 1.00 1.00 N ATOM 1079 CA ASN A 74 74.854 -11.276 -2.159 1.00 1.00 C ATOM 1080 C ASN A 74 73.533 -10.528 -2.357 1.00 1.00 C ATOM 1081 O ASN A 74 73.159 -10.189 -3.462 1.00 1.00 O ATOM 1082 CB ASN A 74 74.564 -12.697 -1.669 1.00 1.00 C ATOM 1083 CG ASN A 74 73.637 -13.401 -2.662 1.00 1.00 C ATOM 1084 OD1 ASN A 74 72.348 -13.219 -2.574 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 74.091 -14.123 -3.528 1.00 1.00 N flip ATOM 0 H ASN A 74 75.227 -9.761 -0.702 1.00 1.00 H new ATOM 0 HA ASN A 74 75.395 -11.322 -3.104 1.00 1.00 H new ATOM 0 HB2 ASN A 74 75.495 -13.255 -1.566 1.00 1.00 H new ATOM 0 HB3 ASN A 74 74.101 -12.665 -0.683 1.00 1.00 H new ATOM 0 HD21 ASN A 74 75.099 -14.265 -3.597 1.00 1.00 H new ATOM 0 HD22 ASN A 74 73.464 -14.587 -4.186 1.00 1.00 H new ATOM 1092 N HIS A 75 72.824 -10.266 -1.292 1.00 1.00 N ATOM 1093 CA HIS A 75 71.527 -9.539 -1.415 1.00 1.00 C ATOM 1094 C HIS A 75 71.264 -8.759 -0.125 1.00 1.00 C ATOM 1095 O HIS A 75 71.981 -7.836 0.207 1.00 1.00 O ATOM 1096 CB HIS A 75 70.398 -10.547 -1.646 1.00 1.00 C ATOM 1097 CG HIS A 75 69.101 -9.812 -1.845 1.00 1.00 C ATOM 1098 ND1 HIS A 75 68.012 -9.993 -1.005 1.00 1.00 N ATOM 1099 CD2 HIS A 75 68.703 -8.890 -2.783 1.00 1.00 C ATOM 1100 CE1 HIS A 75 67.020 -9.200 -1.448 1.00 1.00 C ATOM 1101 NE2 HIS A 75 67.389 -8.508 -2.527 1.00 1.00 N ATOM 0 H HIS A 75 73.087 -10.524 -0.341 1.00 1.00 H new ATOM 0 HA HIS A 75 71.570 -8.848 -2.257 1.00 1.00 H new ATOM 0 HB2 HIS A 75 70.618 -11.161 -2.519 1.00 1.00 H new ATOM 0 HB3 HIS A 75 70.319 -11.222 -0.794 1.00 1.00 H new ATOM 0 HD2 HIS A 75 69.314 -8.519 -3.593 1.00 1.00 H new ATOM 0 HE1 HIS A 75 66.046 -9.132 -0.987 1.00 1.00 H new ATOM 0 HE2 HIS A 75 66.827 -7.840 -3.054 1.00 1.00 H new ATOM 1110 N CYS A 76 70.244 -9.124 0.607 1.00 1.00 N ATOM 1111 CA CYS A 76 69.936 -8.408 1.879 1.00 1.00 C ATOM 1112 C CYS A 76 70.280 -9.312 3.065 1.00 1.00 C ATOM 1113 O CYS A 76 69.520 -10.186 3.433 1.00 1.00 O ATOM 1114 CB CYS A 76 68.446 -8.051 1.916 1.00 1.00 C ATOM 1115 SG CYS A 76 68.235 -6.425 2.682 1.00 1.00 S ATOM 0 H CYS A 76 69.610 -9.889 0.378 1.00 1.00 H new ATOM 0 HA CYS A 76 70.526 -7.494 1.937 1.00 1.00 H new ATOM 0 HB2 CYS A 76 68.037 -8.045 0.906 1.00 1.00 H new ATOM 0 HB3 CYS A 76 67.894 -8.804 2.478 1.00 1.00 H new ATOM 1120 N GLU A 77 71.422 -9.113 3.664 1.00 1.00 N ATOM 1121 CA GLU A 77 71.815 -9.964 4.822 1.00 1.00 C ATOM 1122 C GLU A 77 70.931 -9.633 6.025 1.00 1.00 C ATOM 1123 O GLU A 77 70.394 -8.549 6.135 1.00 1.00 O ATOM 1124 CB GLU A 77 73.280 -9.701 5.177 1.00 1.00 C ATOM 1125 CG GLU A 77 74.185 -10.349 4.128 1.00 1.00 C ATOM 1126 CD GLU A 77 74.240 -11.860 4.363 1.00 1.00 C ATOM 1127 OE1 GLU A 77 74.447 -12.256 5.498 1.00 1.00 O ATOM 1128 OE2 GLU A 77 74.074 -12.595 3.404 1.00 1.00 O ATOM 0 H GLU A 77 72.100 -8.398 3.401 1.00 1.00 H new ATOM 0 HA GLU A 77 71.689 -11.014 4.558 1.00 1.00 H new ATOM 0 HB2 GLU A 77 73.467 -8.628 5.221 1.00 1.00 H new ATOM 0 HB3 GLU A 77 73.504 -10.104 6.165 1.00 1.00 H new ATOM 0 HG2 GLU A 77 73.807 -10.140 3.127 1.00 1.00 H new ATOM 0 HG3 GLU A 77 75.187 -9.925 4.185 1.00 1.00 H new ATOM 1135 N LEU A 78 70.777 -10.561 6.929 1.00 1.00 N ATOM 1136 CA LEU A 78 69.928 -10.305 8.127 1.00 1.00 C ATOM 1137 C LEU A 78 70.639 -9.316 9.053 1.00 1.00 C ATOM 1138 O LEU A 78 71.734 -9.562 9.517 1.00 1.00 O ATOM 1139 CB LEU A 78 69.692 -11.622 8.872 1.00 1.00 C ATOM 1140 CG LEU A 78 68.602 -11.429 9.928 1.00 1.00 C ATOM 1141 CD1 LEU A 78 67.226 -11.563 9.273 1.00 1.00 C ATOM 1142 CD2 LEU A 78 68.754 -12.495 11.016 1.00 1.00 C ATOM 0 H LEU A 78 71.203 -11.487 6.890 1.00 1.00 H new ATOM 0 HA LEU A 78 68.972 -9.886 7.814 1.00 1.00 H new ATOM 0 HB2 LEU A 78 69.397 -12.401 8.169 1.00 1.00 H new ATOM 0 HB3 LEU A 78 70.616 -11.954 9.346 1.00 1.00 H new ATOM 0 HG LEU A 78 68.697 -10.438 10.372 1.00 1.00 H new ATOM 0 HD11 LEU A 78 66.450 -11.425 10.026 1.00 1.00 H new ATOM 0 HD12 LEU A 78 67.117 -10.805 8.497 1.00 1.00 H new ATOM 0 HD13 LEU A 78 67.129 -12.554 8.829 1.00 1.00 H new ATOM 0 HD21 LEU A 78 67.978 -12.359 11.769 1.00 1.00 H new ATOM 0 HD22 LEU A 78 68.658 -13.485 10.571 1.00 1.00 H new ATOM 0 HD23 LEU A 78 69.734 -12.401 11.483 1.00 1.00 H new ATOM 1154 N HIS A 79 70.023 -8.197 9.326 1.00 1.00 N ATOM 1155 CA HIS A 79 70.664 -7.193 10.222 1.00 1.00 C ATOM 1156 C HIS A 79 71.211 -7.894 11.468 1.00 1.00 C ATOM 1157 O HIS A 79 70.823 -8.998 11.793 1.00 1.00 O ATOM 1158 CB HIS A 79 69.627 -6.148 10.640 1.00 1.00 C ATOM 1159 CG HIS A 79 68.373 -6.840 11.098 1.00 1.00 C ATOM 1160 ND1 HIS A 79 67.353 -7.446 10.404 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 68.048 -6.970 12.440 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 66.414 -7.943 11.303 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 66.879 -7.630 12.514 1.00 1.00 N flip ATOM 0 H HIS A 79 69.105 -7.935 8.967 1.00 1.00 H new ATOM 0 HA HIS A 79 71.482 -6.704 9.692 1.00 1.00 H new ATOM 0 HB2 HIS A 79 70.025 -5.526 11.442 1.00 1.00 H new ATOM 0 HB3 HIS A 79 69.405 -5.486 9.803 1.00 1.00 H new ATOM 0 HD2 HIS A 79 68.629 -6.607 13.275 1.00 1.00 H new ATOM 0 HE1 HIS A 79 65.501 -8.471 11.070 1.00 1.00 H new ATOM 0 HE2 HIS A 79 66.406 -7.863 13.387 1.00 1.00 H new ATOM 1172 N GLU A 80 72.113 -7.260 12.166 1.00 1.00 N ATOM 1173 CA GLU A 80 72.689 -7.887 13.389 1.00 1.00 C ATOM 1174 C GLU A 80 73.130 -6.789 14.359 1.00 1.00 C ATOM 1175 O GLU A 80 73.091 -6.959 15.561 1.00 1.00 O ATOM 1176 CB GLU A 80 73.898 -8.741 13.000 1.00 1.00 C ATOM 1177 CG GLU A 80 74.444 -9.450 14.241 1.00 1.00 C ATOM 1178 CD GLU A 80 75.652 -10.304 13.851 1.00 1.00 C ATOM 1179 OE1 GLU A 80 75.657 -10.819 12.746 1.00 1.00 O ATOM 1180 OE2 GLU A 80 76.553 -10.427 14.665 1.00 1.00 O ATOM 0 H GLU A 80 72.476 -6.334 11.942 1.00 1.00 H new ATOM 0 HA GLU A 80 71.939 -8.517 13.867 1.00 1.00 H new ATOM 0 HB2 GLU A 80 73.611 -9.474 12.246 1.00 1.00 H new ATOM 0 HB3 GLU A 80 74.672 -8.114 12.557 1.00 1.00 H new ATOM 0 HG2 GLU A 80 74.732 -8.717 14.995 1.00 1.00 H new ATOM 0 HG3 GLU A 80 73.670 -10.077 14.685 1.00 1.00 H new ATOM 1187 N LEU A 81 73.546 -5.662 13.844 1.00 1.00 N ATOM 1188 CA LEU A 81 73.988 -4.549 14.733 1.00 1.00 C ATOM 1189 C LEU A 81 72.850 -3.537 14.886 1.00 1.00 C ATOM 1190 O LEU A 81 73.016 -2.486 15.472 1.00 1.00 O ATOM 1191 CB LEU A 81 75.228 -3.855 14.144 1.00 1.00 C ATOM 1192 CG LEU A 81 75.114 -3.794 12.620 1.00 1.00 C ATOM 1193 CD1 LEU A 81 75.295 -5.197 12.037 1.00 1.00 C ATOM 1194 CD2 LEU A 81 73.734 -3.257 12.234 1.00 1.00 C ATOM 0 H LEU A 81 73.599 -5.465 12.845 1.00 1.00 H new ATOM 0 HA LEU A 81 74.248 -4.956 15.710 1.00 1.00 H new ATOM 0 HB2 LEU A 81 75.320 -2.848 14.551 1.00 1.00 H new ATOM 0 HB3 LEU A 81 76.129 -4.398 14.429 1.00 1.00 H new ATOM 0 HG LEU A 81 75.886 -3.134 12.224 1.00 1.00 H new ATOM 0 HD11 LEU A 81 75.214 -5.153 10.951 1.00 1.00 H new ATOM 0 HD12 LEU A 81 76.277 -5.581 12.312 1.00 1.00 H new ATOM 0 HD13 LEU A 81 74.523 -5.858 12.432 1.00 1.00 H new ATOM 0 HD21 LEU A 81 73.651 -3.213 11.148 1.00 1.00 H new ATOM 0 HD22 LEU A 81 72.963 -3.918 12.630 1.00 1.00 H new ATOM 0 HD23 LEU A 81 73.604 -2.257 12.649 1.00 1.00 H new ATOM 1206 N ALA A 82 71.693 -3.847 14.365 1.00 1.00 N ATOM 1207 CA ALA A 82 70.545 -2.904 14.483 1.00 1.00 C ATOM 1208 C ALA A 82 70.179 -2.735 15.958 1.00 1.00 C ATOM 1209 O ALA A 82 70.007 -3.698 16.678 1.00 1.00 O ATOM 1210 CB ALA A 82 69.343 -3.468 13.723 1.00 1.00 C ATOM 0 H ALA A 82 71.494 -4.712 13.863 1.00 1.00 H new ATOM 0 HA ALA A 82 70.821 -1.938 14.061 1.00 1.00 H new ATOM 0 HB1 ALA A 82 68.503 -2.779 13.809 1.00 1.00 H new ATOM 0 HB2 ALA A 82 69.603 -3.594 12.672 1.00 1.00 H new ATOM 0 HB3 ALA A 82 69.065 -4.433 14.146 1.00 1.00 H new ATOM 1216 N GLN A 83 70.056 -1.519 16.415 1.00 1.00 N ATOM 1217 CA GLN A 83 69.699 -1.297 17.844 1.00 1.00 C ATOM 1218 C GLN A 83 69.269 0.157 18.048 1.00 1.00 C ATOM 1219 O GLN A 83 69.917 0.914 18.743 1.00 1.00 O ATOM 1220 CB GLN A 83 70.913 -1.598 18.726 1.00 1.00 C ATOM 1221 CG GLN A 83 70.471 -1.698 20.187 1.00 1.00 C ATOM 1222 CD GLN A 83 71.695 -1.920 21.078 1.00 1.00 C ATOM 1223 OE1 GLN A 83 71.797 -2.927 21.750 1.00 1.00 O ATOM 1224 NE2 GLN A 83 72.634 -1.015 21.111 1.00 1.00 N ATOM 0 H GLN A 83 70.187 -0.672 15.862 1.00 1.00 H new ATOM 0 HA GLN A 83 68.877 -1.958 18.117 1.00 1.00 H new ATOM 0 HB2 GLN A 83 71.381 -2.531 18.412 1.00 1.00 H new ATOM 0 HB3 GLN A 83 71.661 -0.813 18.614 1.00 1.00 H new ATOM 0 HG2 GLN A 83 69.953 -0.786 20.484 1.00 1.00 H new ATOM 0 HG3 GLN A 83 69.766 -2.520 20.309 1.00 1.00 H new ATOM 0 HE21 GLN A 83 72.548 -0.170 20.547 1.00 1.00 H new ATOM 0 HE22 GLN A 83 73.454 -1.153 21.701 1.00 1.00 H new ATOM 1233 N TYR A 84 68.179 0.551 17.447 1.00 1.00 N ATOM 1234 CA TYR A 84 67.702 1.955 17.607 1.00 1.00 C ATOM 1235 C TYR A 84 68.831 2.923 17.244 1.00 1.00 C ATOM 1236 O TYR A 84 69.640 3.286 18.074 1.00 1.00 O ATOM 1237 CB TYR A 84 67.273 2.189 19.059 1.00 1.00 C ATOM 1238 CG TYR A 84 65.918 1.565 19.290 1.00 1.00 C ATOM 1239 CD1 TYR A 84 65.814 0.195 19.558 1.00 1.00 C ATOM 1240 CD2 TYR A 84 64.764 2.357 19.236 1.00 1.00 C ATOM 1241 CE1 TYR A 84 64.558 -0.384 19.772 1.00 1.00 C ATOM 1242 CE2 TYR A 84 63.507 1.778 19.450 1.00 1.00 C ATOM 1243 CZ TYR A 84 63.404 0.408 19.718 1.00 1.00 C ATOM 1244 OH TYR A 84 62.165 -0.163 19.929 1.00 1.00 O ATOM 0 H TYR A 84 67.598 -0.039 16.852 1.00 1.00 H new ATOM 0 HA TYR A 84 66.852 2.126 16.947 1.00 1.00 H new ATOM 0 HB2 TYR A 84 68.006 1.756 19.740 1.00 1.00 H new ATOM 0 HB3 TYR A 84 67.234 3.258 19.270 1.00 1.00 H new ATOM 0 HD1 TYR A 84 66.704 -0.416 19.600 1.00 1.00 H new ATOM 0 HD2 TYR A 84 64.844 3.414 19.029 1.00 1.00 H new ATOM 0 HE1 TYR A 84 64.479 -1.441 19.979 1.00 1.00 H new ATOM 0 HE2 TYR A 84 62.617 2.388 19.408 1.00 1.00 H new ATOM 0 HH TYR A 84 61.471 0.525 19.858 1.00 1.00 H new ATOM 1254 N GLY A 85 68.887 3.342 16.007 1.00 1.00 N ATOM 1255 CA GLY A 85 69.959 4.289 15.576 1.00 1.00 C ATOM 1256 C GLY A 85 70.902 3.583 14.600 1.00 1.00 C ATOM 1257 O GLY A 85 71.644 4.214 13.875 1.00 1.00 O ATOM 0 H GLY A 85 68.234 3.068 15.273 1.00 1.00 H new ATOM 0 HA2 GLY A 85 69.516 5.165 15.101 1.00 1.00 H new ATOM 0 HA3 GLY A 85 70.516 4.644 16.443 1.00 1.00 H new ATOM 1261 N ILE A 86 70.871 2.275 14.579 1.00 1.00 N ATOM 1262 CA ILE A 86 71.759 1.501 13.657 1.00 1.00 C ATOM 1263 C ILE A 86 73.130 2.177 13.543 1.00 1.00 C ATOM 1264 O ILE A 86 73.510 2.979 14.373 1.00 1.00 O ATOM 1265 CB ILE A 86 71.108 1.398 12.270 1.00 1.00 C ATOM 1266 CG1 ILE A 86 70.906 2.803 11.698 1.00 1.00 C ATOM 1267 CG2 ILE A 86 69.753 0.699 12.392 1.00 1.00 C ATOM 1268 CD1 ILE A 86 70.495 2.701 10.227 1.00 1.00 C ATOM 0 H ILE A 86 70.263 1.704 15.166 1.00 1.00 H new ATOM 0 HA ILE A 86 71.897 0.499 14.063 1.00 1.00 H new ATOM 0 HB ILE A 86 71.754 0.823 11.607 1.00 1.00 H new ATOM 0 HG12 ILE A 86 70.139 3.331 12.265 1.00 1.00 H new ATOM 0 HG13 ILE A 86 71.826 3.381 11.790 1.00 1.00 H new ATOM 0 HG21 ILE A 86 69.291 0.626 11.407 1.00 1.00 H new ATOM 0 HG22 ILE A 86 69.895 -0.301 12.801 1.00 1.00 H new ATOM 0 HG23 ILE A 86 69.106 1.273 13.055 1.00 1.00 H new ATOM 0 HD11 ILE A 86 70.351 3.702 9.819 1.00 1.00 H new ATOM 0 HD12 ILE A 86 71.277 2.189 9.665 1.00 1.00 H new ATOM 0 HD13 ILE A 86 69.564 2.139 10.147 1.00 1.00 H new ATOM 1280 N CYS A 87 73.876 1.854 12.522 1.00 1.00 N ATOM 1281 CA CYS A 87 75.221 2.472 12.354 1.00 1.00 C ATOM 1282 C CYS A 87 75.066 3.864 11.736 1.00 1.00 C ATOM 1283 CB CYS A 87 76.073 1.586 11.436 1.00 1.00 C ATOM 1284 SG CYS A 87 77.166 2.624 10.434 1.00 1.00 S ATOM 0 H CYS A 87 73.611 1.188 11.796 1.00 1.00 H new ATOM 0 HA CYS A 87 75.710 2.563 13.324 1.00 1.00 H new ATOM 0 HB2 CYS A 87 76.662 0.889 12.031 1.00 1.00 H new ATOM 0 HB3 CYS A 87 75.429 0.989 10.790 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 54.964 -0.560 0.452 1.00 1.00 C HETATM 1291 O1G RCY A 110 53.978 -3.114 1.490 1.00 1.00 O HETATM 1292 O1H RCY A 110 56.194 -4.342 -2.495 1.00 1.00 O HETATM 1293 O1J RCY A 110 55.060 -1.687 3.243 1.00 1.00 O HETATM 1294 C1L RCY A 110 53.407 -4.628 -0.346 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.667 -3.064 0.790 1.00 1.00 C HETATM 1296 C1P RCY A 110 54.268 -3.598 0.397 1.00 1.00 C HETATM 1297 C1Q RCY A 110 55.325 -4.027 -1.683 1.00 1.00 C HETATM 1298 N1R RCY A 110 55.530 -3.247 -0.390 1.00 1.00 N HETATM 1299 C1S RCY A 110 53.845 -4.345 -1.787 1.00 1.00 C HETATM 1300 C1U RCY A 110 56.701 -2.348 0.008 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.391 -0.149 1.057 1.00 1.00 C HETATM 1302 N1V RCY A 110 56.079 -1.933 2.225 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.179 -2.992 2.242 1.00 1.00 C HETATM 1304 C1X RCY A 110 56.280 -1.190 0.912 1.00 1.00 C HETATM 1305 C1Y RCY A 110 58.318 -2.566 3.173 1.00 1.00 C HETATM 1306 C1Z RCY A 110 56.584 -4.325 2.695 1.00 1.00 C HETATM 0 H1ZB RCY A 110 55.738 -4.581 2.058 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 57.342 -5.105 2.623 1.00 1.00 H new HETATM 0 H1YB RCY A 110 59.130 -3.290 3.109 1.00 1.00 H new HETATM 0 H1YA RCY A 110 58.684 -1.583 2.875 1.00 1.00 H new HETATM 0 H1VB RCY A 110 57.563 0.336 0.096 1.00 1.00 H new HETATM 0 H1VA RCY A 110 57.095 0.599 1.793 1.00 1.00 H new HETATM 0 H1MA RCY A 110 57.748 -4.099 0.457 1.00 1.00 H new HETATM 0 H1LA RCY A 110 53.621 -5.651 -0.038 1.00 1.00 H new HETATM 0 H1CB RCY A 110 55.079 -0.178 -0.562 1.00 1.00 H new HETATM 0 H1CA RCY A 110 54.175 -1.312 0.470 1.00 1.00 H new HETATM 0 H1Z RCY A 110 56.247 -4.241 3.728 1.00 1.00 H new HETATM 0 H1Y RCY A 110 57.952 -2.521 4.199 1.00 1.00 H new HETATM 0 H1V RCY A 110 58.308 -0.639 1.385 1.00 1.00 H new HETATM 0 H1U RCY A 110 57.100 -1.991 -0.942 1.00 1.00 H new HETATM 0 H1S RCY A 110 53.289 -3.510 -2.213 1.00 1.00 H new HETATM 0 H1M RCY A 110 58.657 -2.619 0.689 1.00 1.00 H new HETATM 0 H1L RCY A 110 52.340 -4.467 -0.195 1.00 1.00 H new HETATM 0 H1C RCY A 110 54.699 0.259 1.121 1.00 1.00 H new HETATM 1309 C1C RCY A 121 65.606 0.223 -7.089 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.049 1.526 -12.209 1.00 1.00 O HETATM 1311 O1H RCY A 121 67.339 -0.014 -9.192 1.00 1.00 O HETATM 1312 O1J RCY A 121 62.901 0.354 -5.772 1.00 1.00 O HETATM 1313 C1L RCY A 121 66.313 0.646 -12.505 1.00 1.00 C HETATM 1314 C1M RCY A 121 62.994 1.260 -9.497 1.00 1.00 C HETATM 1315 C1P RCY A 121 65.090 1.108 -11.703 1.00 1.00 C HETATM 1316 C1Q RCY A 121 66.779 0.536 -10.138 1.00 1.00 C HETATM 1317 N1R RCY A 121 65.324 0.983 -10.199 1.00 1.00 N HETATM 1318 C1S RCY A 121 67.415 0.895 -11.469 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.355 1.239 -9.043 1.00 1.00 C HETATM 1320 C1V RCY A 121 64.243 -1.257 -8.632 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.116 0.470 -7.212 1.00 1.00 N HETATM 1322 C1W RCY A 121 62.128 0.963 -8.267 1.00 1.00 C HETATM 1323 C1X RCY A 121 64.376 0.127 -7.995 1.00 1.00 C HETATM 1324 C1Y RCY A 121 61.097 -0.125 -8.584 1.00 1.00 C HETATM 1325 C1Z RCY A 121 61.437 2.226 -7.755 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.189 2.965 -7.479 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 60.798 2.634 -8.538 1.00 1.00 H new HETATM 0 H1YB RCY A 121 60.453 0.210 -9.397 1.00 1.00 H new HETATM 0 H1YA RCY A 121 61.612 -1.038 -8.882 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.127 -1.467 -9.234 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.150 -2.010 -7.850 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.742 2.230 -9.926 1.00 1.00 H new HETATM 0 H1LA RCY A 121 66.247 -0.401 -12.801 1.00 1.00 H new HETATM 0 H1CB RCY A 121 66.510 0.141 -7.693 1.00 1.00 H new HETATM 0 H1CA RCY A 121 65.602 1.182 -6.570 1.00 1.00 H new HETATM 0 H1Z RCY A 121 60.831 1.981 -6.883 1.00 1.00 H new HETATM 0 H1Y RCY A 121 60.492 -0.322 -7.699 1.00 1.00 H new HETATM 0 H1V RCY A 121 63.357 -1.282 -9.267 1.00 1.00 H new HETATM 0 H1U RCY A 121 64.681 2.191 -8.625 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.745 1.934 -11.483 1.00 1.00 H new HETATM 0 H1M RCY A 121 62.832 0.515 -10.276 1.00 1.00 H new HETATM 0 H1L RCY A 121 66.458 1.226 -13.416 1.00 1.00 H new HETATM 0 H1C RCY A 121 65.583 -0.585 -6.358 1.00 1.00 H new HETATM 1328 C1C RCY A 130 73.146 14.479 -6.356 1.00 1.00 C HETATM 1329 O1G RCY A 130 72.934 15.991 -4.868 1.00 1.00 O HETATM 1330 O1H RCY A 130 71.416 12.924 -1.614 1.00 1.00 O HETATM 1331 O1J RCY A 130 75.866 15.012 -5.178 1.00 1.00 O HETATM 1332 C1L RCY A 130 71.691 16.247 -2.776 1.00 1.00 C HETATM 1333 C1M RCY A 130 73.919 12.086 -3.642 1.00 1.00 C HETATM 1334 C1P RCY A 130 72.395 15.468 -3.894 1.00 1.00 C HETATM 1335 C1Q RCY A 130 71.481 13.872 -2.395 1.00 1.00 C HETATM 1336 N1R RCY A 130 72.344 13.961 -3.648 1.00 1.00 N HETATM 1337 C1S RCY A 130 70.711 15.175 -2.287 1.00 1.00 C HETATM 1338 C1U RCY A 130 72.989 12.826 -4.446 1.00 1.00 C HETATM 1339 C1V RCY A 130 74.221 12.193 -6.565 1.00 1.00 C HETATM 1340 N1V RCY A 130 75.057 13.836 -4.870 1.00 1.00 N HETATM 1341 C1W RCY A 130 75.252 12.841 -3.727 1.00 1.00 C HETATM 1342 C1X RCY A 130 73.831 13.328 -5.617 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.398 11.877 -4.047 1.00 1.00 C HETATM 1344 C1Z RCY A 130 75.538 13.610 -2.438 1.00 1.00 C HETATM 0 H1ZB RCY A 130 74.741 14.333 -2.261 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 75.588 12.913 -1.602 1.00 1.00 H new HETATM 0 H1YB RCY A 130 76.469 11.123 -3.263 1.00 1.00 H new HETATM 0 H1VA RCY A 130 74.910 12.571 -7.321 1.00 1.00 H new HETATM 0 H1MA RCY A 130 73.574 12.019 -2.610 1.00 1.00 H new HETATM 0 H1CB RCY A 130 72.186 14.141 -6.745 1.00 1.00 H new HETATM 0 H1Z RCY A 130 76.489 14.134 -2.530 1.00 1.00 H new HETATM 0 H1Y RCY A 130 77.335 12.431 -4.103 1.00 1.00 H new HETATM 0 H1V RCY A 130 74.704 11.396 -5.999 1.00 1.00 H new HETATM 0 H1U RCY A 130 72.146 12.225 -4.787 1.00 1.00 H new HETATM 0 H1S RCY A 130 69.809 15.154 -2.899 1.00 1.00 H new HETATM 0 H1M RCY A 130 74.025 11.065 -4.009 1.00 1.00 H new HETATM 1347 C1C RCY A 138 79.207 4.640 6.471 1.00 1.00 C HETATM 1348 O1G RCY A 138 77.364 6.551 5.869 1.00 1.00 O HETATM 1349 O1H RCY A 138 80.727 9.292 7.733 1.00 1.00 O HETATM 1350 O1J RCY A 138 77.879 5.132 3.813 1.00 1.00 O HETATM 1351 C1L RCY A 138 77.308 8.486 7.366 1.00 1.00 C HETATM 1352 C1M RCY A 138 80.927 7.325 4.592 1.00 1.00 C HETATM 1353 C1P RCY A 138 77.977 7.398 6.517 1.00 1.00 C HETATM 1354 C1Q RCY A 138 79.709 8.617 7.586 1.00 1.00 C HETATM 1355 N1R RCY A 138 79.501 7.495 6.576 1.00 1.00 N HETATM 1356 C1S RCY A 138 78.424 8.748 8.383 1.00 1.00 C HETATM 1357 C1U RCY A 138 80.554 6.683 5.820 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.179 4.411 4.894 1.00 1.00 C HETATM 1359 N1V RCY A 138 79.155 5.719 4.211 1.00 1.00 N HETATM 1360 C1W RCY A 138 79.898 6.876 3.547 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.042 5.313 5.380 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.598 6.402 2.271 1.00 1.00 C HETATM 1363 C1Z RCY A 138 78.903 7.994 3.231 1.00 1.00 C HETATM 0 H1ZB RCY A 138 78.373 8.277 4.140 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 79.439 8.859 2.840 1.00 1.00 H new HETATM 0 H1YB RCY A 138 81.190 7.218 1.856 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.252 5.562 2.505 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.837 4.173 5.730 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.763 3.490 4.486 1.00 1.00 H new HETATM 0 H1MA RCY A 138 80.923 8.409 4.702 1.00 1.00 H new HETATM 0 H1LA RCY A 138 77.056 9.373 6.785 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.816 4.506 7.365 1.00 1.00 H new HETATM 0 H1CA RCY A 138 78.347 5.266 6.709 1.00 1.00 H new HETATM 0 H1Z RCY A 138 78.187 7.644 2.487 1.00 1.00 H new HETATM 0 H1Y RCY A 138 79.851 6.088 1.542 1.00 1.00 H new HETATM 0 H1V RCY A 138 81.747 4.927 4.120 1.00 1.00 H new HETATM 0 H1U RCY A 138 81.382 6.595 6.524 1.00 1.00 H new HETATM 0 H1S RCY A 138 78.391 8.029 9.202 1.00 1.00 H new HETATM 0 H1M RCY A 138 81.936 7.039 4.294 1.00 1.00 H new HETATM 0 H1L RCY A 138 76.387 8.141 7.836 1.00 1.00 H new HETATM 0 H1C RCY A 138 78.862 3.668 6.118 1.00 1.00 H new HETATM 1366 C1C RCY A 150 81.971 -0.390 1.434 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.203 3.341 -1.076 1.00 1.00 O HETATM 1368 O1H RCY A 150 85.419 0.568 0.990 1.00 1.00 O HETATM 1369 O1J RCY A 150 79.561 1.199 0.577 1.00 1.00 O HETATM 1370 C1L RCY A 150 84.120 3.793 0.376 1.00 1.00 C HETATM 1371 C1M RCY A 150 82.194 0.556 -2.136 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.134 2.909 -0.399 1.00 1.00 C HETATM 1373 C1Q RCY A 150 84.601 1.461 0.777 1.00 1.00 C HETATM 1374 N1R RCY A 150 83.454 1.425 -0.225 1.00 1.00 N HETATM 1375 C1S RCY A 150 84.549 2.811 1.471 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.799 0.209 -0.882 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.197 -1.728 -0.576 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.572 0.685 -0.343 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.789 1.075 -1.804 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.643 -0.359 -0.060 1.00 1.00 C HETATM 1381 C1Y RCY A 150 79.742 0.406 -2.699 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.715 2.597 -1.932 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.425 3.055 -1.244 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.960 2.889 -2.953 1.00 1.00 H new HETATM 0 H1YB RCY A 150 79.962 0.626 -3.744 1.00 1.00 H new HETATM 0 H1YA RCY A 150 79.766 -0.673 -2.543 1.00 1.00 H new HETATM 0 H1VB RCY A 150 81.994 -2.454 -0.417 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.304 -2.046 -0.038 1.00 1.00 H new HETATM 0 H1MA RCY A 150 82.778 1.317 -2.653 1.00 1.00 H new HETATM 0 H1LA RCY A 150 84.957 4.123 -0.239 1.00 1.00 H new HETATM 0 H1CB RCY A 150 82.849 -1.014 1.601 1.00 1.00 H new HETATM 0 H1CA RCY A 150 82.174 0.622 1.783 1.00 1.00 H new HETATM 0 H1Z RCY A 150 79.707 2.934 -1.690 1.00 1.00 H new HETATM 0 H1Y RCY A 150 78.752 0.787 -2.448 1.00 1.00 H new HETATM 0 H1V RCY A 150 80.974 -1.661 -1.641 1.00 1.00 H new HETATM 0 H1U RCY A 150 83.611 -0.511 -0.983 1.00 1.00 H new HETATM 0 H1S RCY A 150 83.839 2.804 2.298 1.00 1.00 H new HETATM 0 H1M RCY A 150 82.143 -0.310 -2.797 1.00 1.00 H new HETATM 0 H1L RCY A 150 83.648 4.689 0.780 1.00 1.00 H new HETATM 0 H1C RCY A 150 81.124 -0.800 1.984 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.853 3.888 -4.235 1.00 1.00 C HETATM 1386 O1G RCY A 160 79.329 5.786 -0.396 1.00 1.00 O HETATM 1387 O1H RCY A 160 77.269 6.260 -4.618 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.811 2.526 -2.490 1.00 1.00 O HETATM 1389 C1L RCY A 160 79.726 7.277 -2.294 1.00 1.00 C HETATM 1390 C1M RCY A 160 76.553 4.474 -0.649 1.00 1.00 C HETATM 1391 C1P RCY A 160 79.042 6.129 -1.541 1.00 1.00 C HETATM 1392 C1Q RCY A 160 78.108 6.192 -3.722 1.00 1.00 C HETATM 1393 N1R RCY A 160 77.960 5.464 -2.391 1.00 1.00 N HETATM 1394 C1S RCY A 160 79.490 6.821 -3.738 1.00 1.00 C HETATM 1395 C1U RCY A 160 76.977 4.354 -2.014 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.072 5.826 -2.799 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.811 3.468 -1.996 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.222 3.719 -0.547 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.675 4.420 -2.811 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.172 4.574 0.168 1.00 1.00 C HETATM 1401 C1Z RCY A 160 75.398 2.377 0.163 1.00 1.00 C HETATM 0 H1YB RCY A 160 74.520 4.813 1.173 1.00 1.00 H new HETATM 0 H1YA RCY A 160 74.013 5.497 -0.390 1.00 1.00 H new HETATM 0 H1VB RCY A 160 75.729 6.508 -3.339 1.00 1.00 H new HETATM 0 H1VA RCY A 160 74.094 5.807 -3.281 1.00 1.00 H new HETATM 0 H1MA RCY A 160 77.294 4.049 0.028 1.00 1.00 H new HETATM 0 H1LA RCY A 160 79.271 8.245 -2.082 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.603 4.484 -4.755 1.00 1.00 H new HETATM 0 H1CA RCY A 160 76.178 2.848 -4.197 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.962 6.166 -1.769 1.00 1.00 H new HETATM 0 H1U RCY A 160 77.523 3.432 -2.213 1.00 1.00 H new HETATM 0 H1S RCY A 160 80.248 6.105 -4.056 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.429 5.520 -0.370 1.00 1.00 H new HETATM 0 H1L RCY A 160 80.785 7.363 -2.051 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.905 3.952 -4.769 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.410 2.657 -1.521 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.001 -1.095 -1.515 1.00 1.00 O HETATM 1406 O1H RCY A 168 77.059 0.786 -3.030 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.428 0.874 -0.121 1.00 1.00 O HETATM 1408 C1L RCY A 168 74.339 -1.407 -3.540 1.00 1.00 C HETATM 1409 C1M RCY A 168 75.122 0.218 0.673 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.983 -0.781 -2.185 1.00 1.00 C HETATM 1411 C1Q RCY A 168 75.914 0.339 -2.991 1.00 1.00 C HETATM 1412 N1R RCY A 168 75.002 0.280 -1.772 1.00 1.00 N HETATM 1413 C1S RCY A 168 75.146 -0.259 -4.156 1.00 1.00 C HETATM 1414 C1U RCY A 168 75.092 1.082 -0.472 1.00 1.00 C HETATM 1415 C1V RCY A 168 74.103 2.968 0.898 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.854 0.915 0.191 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.659 -0.086 1.017 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.869 1.967 -0.235 1.00 1.00 C HETATM 1419 C1Y RCY A 168 73.402 0.124 2.512 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.273 -1.505 0.598 1.00 1.00 C HETATM 0 H1ZB RCY A 168 73.406 -1.615 -0.478 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 73.907 -2.223 1.118 1.00 1.00 H new HETATM 0 H1YA RCY A 168 73.619 1.159 2.777 1.00 1.00 H new HETATM 0 H1LA RCY A 168 74.925 -2.320 -3.437 1.00 1.00 H new HETATM 0 H1Z RCY A 168 72.230 -1.689 0.856 1.00 1.00 H new HETATM 0 H1Y RCY A 168 72.358 -0.097 2.736 1.00 1.00 H new HETATM 0 H1V RCY A 168 74.428 2.436 1.792 1.00 1.00 H new HETATM 0 H1S RCY A 168 74.493 0.480 -4.621 1.00 1.00 H new HETATM 0 H1M RCY A 168 75.627 0.699 1.511 1.00 1.00 H new HETATM 0 H1L RCY A 168 73.456 -1.659 -4.128 1.00 1.00 H new HETATM 0 H1C RCY A 168 72.538 3.277 -1.310 1.00 1.00 H new HETATM 1423 C1C RCY A 173 79.722 -4.275 0.280 1.00 1.00 C HETATM 1424 O1G RCY A 173 77.784 -5.718 4.422 1.00 1.00 O HETATM 1425 O1H RCY A 173 77.166 -5.408 -0.249 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.524 -3.159 -1.449 1.00 1.00 O HETATM 1427 C1L RCY A 173 76.919 -7.271 2.740 1.00 1.00 C HETATM 1428 C1M RCY A 173 77.184 -2.512 2.316 1.00 1.00 C HETATM 1429 C1P RCY A 173 77.480 -5.937 3.251 1.00 1.00 C HETATM 1430 C1Q RCY A 173 77.001 -5.660 0.943 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.614 -4.915 2.123 1.00 1.00 N HETATM 1432 C1S RCY A 173 76.146 -6.777 1.512 1.00 1.00 C HETATM 1433 C1U RCY A 173 78.207 -3.505 2.158 1.00 1.00 C HETATM 1434 C1V RCY A 173 79.727 -1.844 1.000 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.681 -2.857 -0.029 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.662 -2.208 0.906 1.00 1.00 C HETATM 1437 C1X RCY A 173 78.896 -3.120 0.850 1.00 1.00 C HETATM 1438 C1Y RCY A 173 76.604 -0.696 0.668 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.292 -2.843 0.672 1.00 1.00 C HETATM 0 H1ZB RCY A 173 75.368 -3.924 0.788 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 74.580 -2.449 1.397 1.00 1.00 H new HETATM 0 H1YA RCY A 173 77.603 -0.272 0.774 1.00 1.00 H new HETATM 0 H1VB RCY A 173 80.563 -2.031 1.674 1.00 1.00 H new HETATM 0 H1VA RCY A 173 80.109 -1.542 0.025 1.00 1.00 H new HETATM 0 H1MA RCY A 173 76.382 -2.878 2.958 1.00 1.00 H new HETATM 0 H1LA RCY A 173 77.704 -7.982 2.481 1.00 1.00 H new HETATM 0 H1CB RCY A 173 80.490 -4.563 0.998 1.00 1.00 H new HETATM 0 H1CA RCY A 173 79.070 -5.127 0.085 1.00 1.00 H new HETATM 0 H1Z RCY A 173 74.950 -2.609 -0.336 1.00 1.00 H new HETATM 0 H1V RCY A 173 79.103 -1.049 1.408 1.00 1.00 H new HETATM 0 H1U RCY A 173 78.910 -3.530 2.990 1.00 1.00 H new HETATM 0 H1M RCY A 173 77.583 -1.613 2.786 1.00 1.00 H new HETATM 0 H1L RCY A 173 76.274 -7.760 3.470 1.00 1.00 H new HETATM 0 H1C RCY A 173 80.195 -3.960 -0.650 1.00 1.00 H new HETATM 1442 C1C RCY A 176 73.020 -3.170 2.802 1.00 1.00 C HETATM 1443 O1G RCY A 176 73.192 -7.247 3.756 1.00 1.00 O HETATM 1444 O1H RCY A 176 70.181 -5.110 0.812 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.017 -4.574 4.565 1.00 1.00 O HETATM 1446 C1L RCY A 176 70.754 -7.265 3.551 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.429 -6.148 1.117 1.00 1.00 C HETATM 1448 C1P RCY A 176 72.181 -6.830 3.193 1.00 1.00 C HETATM 1449 C1Q RCY A 176 70.702 -5.579 1.823 1.00 1.00 C HETATM 1450 N1R RCY A 176 72.190 -5.815 2.051 1.00 1.00 N HETATM 1451 C1S RCY A 176 69.978 -6.031 3.077 1.00 1.00 C HETATM 1452 C1U RCY A 176 73.380 -5.191 1.319 1.00 1.00 C HETATM 1453 C1V RCY A 176 75.033 -3.274 1.265 1.00 1.00 C HETATM 1454 N1V RCY A 176 74.798 -4.897 3.158 1.00 1.00 N HETATM 1455 C1W RCY A 176 75.271 -6.136 2.399 1.00 1.00 C HETATM 1456 C1X RCY A 176 74.048 -4.074 2.120 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.761 -6.023 2.064 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.003 -7.377 3.251 1.00 1.00 C HETATM 0 H1ZB RCY A 176 73.949 -7.407 3.529 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 75.253 -8.271 2.680 1.00 1.00 H new HETATM 0 H1VB RCY A 176 74.488 -2.733 0.491 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.568 -2.564 1.895 1.00 1.00 H new HETATM 0 H1MA RCY A 176 74.020 -7.141 0.929 1.00 1.00 H new HETATM 0 H1LA RCY A 176 70.452 -8.174 3.031 1.00 1.00 H new HETATM 0 H1CB RCY A 176 72.380 -2.713 2.047 1.00 1.00 H new HETATM 0 H1CA RCY A 176 72.411 -3.762 3.485 1.00 1.00 H new HETATM 0 H1Z RCY A 176 75.615 -7.339 4.152 1.00 1.00 H new HETATM 0 H1V RCY A 176 75.746 -3.954 0.799 1.00 1.00 H new HETATM 0 H1U RCY A 176 72.957 -4.818 0.386 1.00 1.00 H new HETATM 0 H1S RCY A 176 69.975 -5.249 3.836 1.00 1.00 H new HETATM 0 H1M RCY A 176 75.035 -5.884 0.250 1.00 1.00 H new HETATM 0 H1L RCY A 176 70.630 -7.452 4.618 1.00 1.00 H new HETATM 0 H1C RCY A 176 73.536 -2.389 3.361 1.00 1.00 H new HETATM 1461 C1C RCY A 187 73.805 -0.902 5.695 1.00 1.00 C HETATM 1462 O1G RCY A 187 76.771 -1.582 7.508 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.934 3.061 7.731 1.00 1.00 O HETATM 1464 O1J RCY A 187 74.112 -1.018 2.701 1.00 1.00 O HETATM 1465 C1L RCY A 187 77.018 0.081 9.286 1.00 1.00 C HETATM 1466 C1M RCY A 187 76.827 0.925 4.589 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.692 -0.409 7.870 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.448 1.952 7.869 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.257 0.742 6.963 1.00 1.00 N HETATM 1470 C1S RCY A 187 77.394 1.535 8.981 1.00 1.00 C HETATM 1471 C1U RCY A 187 75.756 0.701 5.518 1.00 1.00 C HETATM 1472 C1V RCY A 187 76.167 -1.797 5.485 1.00 1.00 C HETATM 1473 N1V RCY A 187 75.132 -0.501 3.609 1.00 1.00 N HETATM 1474 C1W RCY A 187 76.365 0.328 3.253 1.00 1.00 C HETATM 1475 C1X RCY A 187 75.203 -0.667 5.121 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.456 -0.564 2.656 1.00 1.00 C HETATM 1477 C1Z RCY A 187 75.964 1.423 2.265 1.00 1.00 C HETATM 0 H1ZB RCY A 187 75.146 2.009 2.684 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 76.818 2.074 2.077 1.00 1.00 H new HETATM 0 H1YB RCY A 187 78.356 0.027 2.486 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.680 -1.377 3.347 1.00 1.00 H new HETATM 0 H1VB RCY A 187 76.251 -1.868 6.569 1.00 1.00 H new HETATM 0 H1VA RCY A 187 75.790 -2.739 5.088 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.038 1.989 4.488 1.00 1.00 H new HETATM 0 H1LA RCY A 187 76.166 0.003 9.961 1.00 1.00 H new HETATM 0 H1CB RCY A 187 73.845 -0.852 6.783 1.00 1.00 H new HETATM 0 H1CA RCY A 187 73.125 -0.136 5.321 1.00 1.00 H new HETATM 0 H1Z RCY A 187 75.642 0.968 1.329 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.110 -0.978 1.709 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.148 -1.590 5.057 1.00 1.00 H new HETATM 0 H1U RCY A 187 74.986 1.472 5.477 1.00 1.00 H new HETATM 0 H1S RCY A 187 78.435 1.618 8.668 1.00 1.00 H new HETATM 0 H1M RCY A 187 77.746 0.449 4.931 1.00 1.00 H new HETATM 0 H1L RCY A 187 77.837 -0.475 9.742 1.00 1.00 H new HETATM 0 H1C RCY A 187 73.447 -1.885 5.390 1.00 1.00 H new